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IM-12

IM-12 structure

CAS No:
1129669-05-1
Formula:
C22H20FN3O2
Chemical Name:
IM-12
Synonyms:
IM-12;3-(4-fluorophenethylaMino)-1-Methyl-4-(2-Methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione;3-[[2-(4-fluorophenyl)ethyl]amino]-1-methyl-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione;3-(4-Fluorophenylethylamino)-1-methyl-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione IM-12;3-(4-Fluorophenylethylamino)-1-methyl-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
Categories:
Biochemical Engineering > Inhibitors

Description

3-[2-(4-fluorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione is an organonitrogen compound, an organooxygen compound and a member of maleimides. It derives from an alpha-amino acid.

IM-12 Basic Attributes

Molecular Weight：

377.4115032

Exact Mass：

377.154

DSSTox ID：

DTXSID20649091

Characteristics

PSA：

65.2

XLogP3：

3.9

Appearance：

yellow-orange

Density：

1.34±0.1 g/cm3(Predicted)

Melting Point：

187 °C

Boiling Point：

600.2±55.0 °C(Predicted)

Water Solubility：

DMSO: ≥9mg/mL

Storage Conditions：

2-8°C

Safety Information

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

(E)-N2-carbamoyl-N1-((6-chloro-3-pyridyl)methyl)-N1-methylacetamidine

Computed Properties

Molecular Weight:377.4
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:377.15395505
Monoisotopic Mass:377.15395505
Topological Polar Surface Area:65.2
Heavy Atom Count:28
Complexity:656
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes