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4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one

4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one structure

CAS No:
81047-99-6
Formula:
C14H21N3O3
Chemical Name:
4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one
Synonyms:
2H-Benzimidazol-2-one,4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-;4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one;CGP 12177;(±)-CGP 12177;85502-24-5
Categories:
Organic Chemistry > Amides

Description

ChEBI: A benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group.

CGP 12177 is a benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group. It has a role as a beta-adrenergic antagonist. It is a member of benzimidazoles, an aromatic ether, a secondary amino compound and a secondary alcohol.

4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one Basic Attributes

Molecular Weight：

315.8

Exact Mass：

279.33

Characteristics

PSA：

90.14000

XLogP3：

1.37490

Appearance：

white solid

Density：

1.179g/cm3

Boiling Point：

376.3ºC at 760 mmHg

Flash Point：

181.4ºC

Refractive Index：

1.55

Water Solubility：

DMSO: >10 mg/mL

Storage Conditions：

Store at RT

Safety Information

wgk germany：

Drug Information

MeSH：

Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety. (See all compounds classified as Adrenergic beta-Antagonists.)|Drugs that selectively bind to and activate beta-adrenergic receptors. (See all compounds classified as Adrenergic beta-Agonists.)

MeSH Entry Terms：

4-(3-tert-butylamino-2-hydroxypropoxy)benzimidazol-2-one

Computed Properties

Molecular Weight:279.33
XLogP3:0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:279.15829154
Monoisotopic Mass:279.15829154
Topological Polar Surface Area:82.6
Heavy Atom Count:20
Complexity:343
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one

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Guide of 4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Latest News
Learn More Other Chemicals

4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one

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