N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide

C20H21ClN4O — CID 3223990

IUPACN-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
SMILESCc1ccc2nc(C3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)[nH]c2c1
InChIInChI=1S/C20H21ClN4O/c1-13-4-9-17-18(11-13)24-19(23-17)14-3-2-10-25(12-14)20(26)22-16-7-5-15(21)6-8-16/h4-9,11,14H,2-3,10,12H2,1H3,(H,22,26)(H,23,24)
InChIKeyPHLDHJLJBMXCPU-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.94
Rot. Bonds2

About N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide

N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide (PubChem CID 3223990) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
PubChem CID3223990
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
SMILESCc1ccc2nc(C3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)[nH]c2c1
InChIInChI=1S/C20H21ClN4O/c1-13-4-9-17-18(11-13)24-19(23-17)14-3-2-10-25(12-14)20(26)22-16-7-5-15(21)6-8-16/h4-9,11,14H,2-3,10,12H2,1H3,(H,22,26)(H,23,24)
InChIKeyPHLDHJLJBMXCPU-UHFFFAOYSA-N
XLogP4.94
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 1429871
3-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carbothioamide
CID 3223996
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391
N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223963
N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 134796934
4-(6-chloro-1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 1429783
2-methyl-1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 122137072
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 97071724
methyl 2-[[3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]benzoate
CID 3223984

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide (CID 3223990) is N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide is Cc1ccc2nc(C3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)[nH]c2c1.
What is the InChIKey of N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is PHLDHJLJBMXCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-13-4-9-17-18(11-13)24-19(23-17)14-3-2-10-25(12-14)20(26)22-16-7-5-15(21)6-8-16/h4-9,11,14H,2-3,10,12H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide?
N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 3223990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).