1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide

C16H22N4O — CID 115442160

IUPAC1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H22N4O/c1-11-6-8-16(10-17,9-7-11)14(21)20-15-18-12-4-2-3-5-13(12)19-15/h2-5,11H,6-10,17H2,1H3,(H2,18,19,20,21)
InChIKeyWPMZCDXIIUEPES-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.66
Rot. Bonds3

About 1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 115442160) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID115442160
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H22N4O/c1-11-6-8-16(10-17,9-7-11)14(21)20-15-18-12-4-2-3-5-13(12)19-15/h2-5,11H,6-10,17H2,1H3,(H2,18,19,20,21)
InChIKeyWPMZCDXIIUEPES-UHFFFAOYSA-N
XLogP2.66
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 113310422
N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 43016841
N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63562778
[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
CID 113310412
N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide
CID 63563740
4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)oxane-4-carboxamide
CID 120939430
N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
CID 8849903
4-(aminomethyl)-N-[4-(1H-benzimidazol-2-yl)phenyl]oxane-4-carboxamide
CID 120937714
N-(1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide
CID 119669181
1-(aminomethyl)-N-(4-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441362
N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980681
N-(1H-benzimidazol-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975213

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide (CID 115442160) is 1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)Nc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is WPMZCDXIIUEPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-6-8-16(10-17,9-7-11)14(21)20-15-18-12-4-2-3-5-13(12)19-15/h2-5,11H,6-10,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115442160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).