4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide

C21H24N4O — CID 175453744

IUPAC4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3ccccc3n2C2CCCCC2N)cc1
InChIInChI=1S/C21H24N4O/c1-23-21(26)15-12-10-14(11-13-15)20-24-17-7-3-5-9-19(17)25(20)18-8-4-2-6-16(18)22/h3,5,7,9-13,16,18H,2,4,6,8,22H2,1H3,(H,23,26)
InChIKeyHZECKMJKDIZUCW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.51
Rot. Bonds3

About 4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide

4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide (PubChem CID 175453744) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide
PubChem CID175453744
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc3ccccc3n2C2CCCCC2N)cc1
InChIInChI=1S/C21H24N4O/c1-23-21(26)15-12-10-14(11-13-15)20-24-17-7-3-5-9-19(17)25(20)18-8-4-2-6-16(18)22/h3,5,7,9-13,16,18H,2,4,6,8,22H2,1H3,(H,23,26)
InChIKeyHZECKMJKDIZUCW-UHFFFAOYSA-N
XLogP3.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[1-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzimidazol-2-yl]benzamide
CID 175453707
4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide
CID 175453669
2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 112632185
(1S,9aR)-1-(2-phenylbenzimidazol-1-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 118711104
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
2-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23516004
4-[(1-cyclopentylbenzimidazol-2-yl)amino]-3-methoxy-N-methylbenzamide
CID 73051604
N-methyl-4-(1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)benzamide;molecular hydrogen
CID 145171921
1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide
CID 23378171
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
CID 84571341
4-(aminomethyl)-N-(1-cyclopentylbenzimidazol-2-yl)benzamide;hydrochloride
CID 119332720
1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515819

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide (CID 175453744) is 4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2nc3ccccc3n2C2CCCCC2N)cc1.
What is the InChIKey of 4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide?
The InChIKey is HZECKMJKDIZUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-23-21(26)15-12-10-14(11-13-15)20-24-17-7-3-5-9-19(17)25(20)18-8-4-2-6-16(18)22/h3,5,7,9-13,16,18H,2,4,6,8,22H2,1H3,(H,23,26).
What are the key properties of 4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide?
4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide has a molecular weight of 348.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminocyclohexyl)benzimidazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 175453744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).