N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide

C26H38N4O — CID 46106517

IUPACN-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1
InChIInChI=1S/C26H38N4O/c31-25(27-22-11-5-2-6-12-22)21-15-17-29(18-16-21)26-28-23-13-7-8-14-24(23)30(26)19-20-9-3-1-4-10-20/h7-8,13-14,20-22H,1-6,9-12,15-19H2,(H,27,31)
InChIKeyKTHOKUQXFIEPPA-UHFFFAOYSA-N
MW422.62 g/mol
LogP5.28
Rot. Bonds5

About N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide

N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide (PubChem CID 46106517) has the molecular formula C26H38N4O and a molecular weight of 422.62 g/mol. Its IUPAC name is N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide
PubChem CID46106517
Molecular FormulaC26H38N4O
Molecular Weight422.62 g/mol
Exact Mass422.30
IUPAC NameN-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1
InChIInChI=1S/C26H38N4O/c31-25(27-22-11-5-2-6-12-22)21-15-17-29(18-16-21)26-28-23-13-7-8-14-24(23)30(26)19-20-9-3-1-4-10-20/h7-8,13-14,20-22H,1-6,9-12,15-19H2,(H,27,31)
InChIKeyKTHOKUQXFIEPPA-UHFFFAOYSA-N
XLogP5.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-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

N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 90040198
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93015043
1-(1-benzyl-5,6-dimethylbenzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 50996652
1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42880141
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93015049
1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 42880139
N-cyclopentyl-2-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 171994814
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716313
[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 46375652
N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 46106770
(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454576

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide (CID 46106517) is N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide is O=C(NC1CCCCC1)C1CCN(c2nc3ccccc3n2CC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide?
The InChIKey is KTHOKUQXFIEPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O/c31-25(27-22-11-5-2-6-12-22)21-15-17-29(18-16-21)26-28-23-13-7-8-14-24(23)30(26)19-20-9-3-1-4-10-20/h7-8,13-14,20-22H,1-6,9-12,15-19H2,(H,27,31).
What are the key properties of N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide?
N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide has a molecular weight of 422.62 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46106517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).