1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide

C23H27ClN4O — CID 46359054

IUPAC1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C23H27ClN4O/c1-16(7-8-17-5-3-2-4-6-17)25-22(29)18-11-13-28(14-12-18)23-26-20-10-9-19(24)15-21(20)27-23/h2-6,9-10,15-16,18H,7-8,11-14H2,1H3,(H,25,29)(H,26,27)
InChIKeySVOFPXNAHRFMQZ-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.57
Rot. Bonds6

About 1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide

1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 46359054) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is 1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
PubChem CID46359054
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC Name1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C23H27ClN4O/c1-16(7-8-17-5-3-2-4-6-17)25-22(29)18-11-13-28(14-12-18)23-26-20-10-9-19(24)15-21(20)27-23/h2-6,9-10,15-16,18H,7-8,11-14H2,1H3,(H,25,29)(H,26,27)
InChIKeySVOFPXNAHRFMQZ-UHFFFAOYSA-N
XLogP4.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide
CID 92876497
1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46359077
1-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 46259508
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100580774
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 38102463
1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883178
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 92876664
1-[2-(4-benzylpiperidin-1-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 147321423
1-(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 92880391
1-[2-(3-methylphenyl)pyrimidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 93068187
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876604

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide (CID 46359054) is 1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide is CC(CCc1ccccc1)NC(=O)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of 1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is SVOFPXNAHRFMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-16(7-8-17-5-3-2-4-6-17)25-22(29)18-11-13-28(14-12-18)23-26-20-10-9-19(24)15-21(20)27-23/h2-6,9-10,15-16,18H,7-8,11-14H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide?
1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46359054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).