N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide

C23H27ClN4O — CID 124822336

IUPACN-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)n1c(CN2CCC(C(=O)Nc3cccc(Cl)c3)CC2)nc2ccccc21
InChIInChI=1S/C23H27ClN4O/c1-16(2)28-21-9-4-3-8-20(21)26-22(28)15-27-12-10-17(11-13-27)23(29)25-19-7-5-6-18(24)14-19/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,25,29)
InChIKeyQXURQWSVKGYSQQ-UHFFFAOYSA-N
MW410.95 g/mol
LogP5.12
Rot. Bonds5

About N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide

N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 124822336) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID124822336
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC NameN-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)n1c(CN2CCC(C(=O)Nc3cccc(Cl)c3)CC2)nc2ccccc21
InChIInChI=1S/C23H27ClN4O/c1-16(2)28-21-9-4-3-8-20(21)26-22(28)15-27-12-10-17(11-13-27)23(29)25-19-7-5-6-18(24)14-19/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,25,29)
InChIKeyQXURQWSVKGYSQQ-UHFFFAOYSA-N
XLogP5.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124820017
N,N-di(propan-2-yl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124821668
N-(3,4-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124830854
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 124819999
1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 124814493
1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-4-carboxamide
CID 124808590
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124830464
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124807147
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124822331
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 29211136
[4-(2-hydroxyethyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124805714
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 124822336) is N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide is CC(C)n1c(CN2CCC(C(=O)Nc3cccc(Cl)c3)CC2)nc2ccccc21.
What is the InChIKey of N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is QXURQWSVKGYSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-16(2)28-21-9-4-3-8-20(21)26-22(28)15-27-12-10-17(11-13-27)23(29)25-19-7-5-6-18(24)14-19/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,25,29).
What are the key properties of N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 124822336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).