1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide

C27H34N4O — CID 42880139

IUPAC1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3nc4ccccc4n3CC3CCCCC3)C2)cc1
InChIInChI=1S/C27H34N4O/c1-20-13-15-23(16-14-20)28-26(32)22-10-7-17-30(19-22)27-29-24-11-5-6-12-25(24)31(27)18-21-8-3-2-4-9-21/h5-6,11-16,21-22H,2-4,7-10,17-19H2,1H3,(H,28,32)
InChIKeyYAWCMDBZCKCIFX-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.78
Rot. Bonds5

About 1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide

1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 42880139) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID42880139
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3nc4ccccc4n3CC3CCCCC3)C2)cc1
InChIInChI=1S/C27H34N4O/c1-20-13-15-23(16-14-20)28-26(32)22-10-7-17-30(19-22)27-29-24-11-5-6-12-25(24)31(27)18-21-8-3-2-4-9-21/h5-6,11-16,21-22H,2-4,7-10,17-19H2,1H3,(H,28,32)
InChIKeyYAWCMDBZCKCIFX-UHFFFAOYSA-N
XLogP5.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93015043
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93015049
1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42880141
1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 16669340
N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 46106517
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
CID 51494618
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 93016402
(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 124805141

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide (CID 42880139) is 1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(c3nc4ccccc4n3CC3CCCCC3)C2)cc1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is YAWCMDBZCKCIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-20-13-15-23(16-14-20)28-26(32)22-10-7-17-30(19-22)27-29-24-11-5-6-12-25(24)31(27)18-21-8-3-2-4-9-21/h5-6,11-16,21-22H,2-4,7-10,17-19H2,1H3,(H,28,32).
What are the key properties of 1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide?
1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 42880139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).