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5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one

5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one structure

CAS No:
53786-28-0
Formula:
C12H14ClN3O
Chemical Name:
5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one
Synonyms:
2H-Benzimidazol-2-one,5-chloro-1,3-dihydro-1-(4-piperidinyl)-;5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one;R 29676;5-Chloro-1-piperidin-4-yl-1,3-dihydrobenzimidazol-2-one;5-Chloro-1-(4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one;4-(6-Chloro-1,2-dihydro-2-oxobenzo[d]imidazol-3-yl)piperidine;5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one;5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one;5-Chloro-1-(piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
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5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one Basic Attributes

Molecular Weight：

251.71

Exact Mass：

251.71

EC Number：

258-771-6

UNII：

53TAT94YDS

DSSTox ID：

DTXSID4057764

HScode：

2933990090

Characteristics

PSA：

44.4

XLogP3：

2.00

Density：

1.3±0.1 g/cm3

Melting Point：

220 °C

Refractive Index：

1.606

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (94.12%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one is a known human metabolite of domperidone.

5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one Use and Manufacturing

A metabolite of the gastrokinetic and antinauseant drug Domperidone (D531100).

Computed Properties

Molecular Weight:251.71
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:251.0825398
Monoisotopic Mass:251.0825398
Topological Polar Surface Area:44.4
Heavy Atom Count:17
Complexity:306
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

5-Chloro-1-(piperidin-4-yl)-1H-benzimidazol-2(3H)-one

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