1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide

C22H25ClN4O — CID 46359077

IUPAC1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1
InChIInChI=1S/C22H25ClN4O/c1-2-15-3-5-16(6-4-15)14-24-21(28)17-9-11-27(12-10-17)22-25-19-8-7-18(23)13-20(19)26-22/h3-8,13,17H,2,9-12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyCZWVLFNYCJJWQP-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.31
Rot. Bonds5

About 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide

1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46359077) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
PubChem CID46359077
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1
InChIInChI=1S/C22H25ClN4O/c1-2-15-3-5-16(6-4-15)14-24-21(28)17-9-11-27(12-10-17)22-25-19-8-7-18(23)13-20(19)26-22/h3-8,13,17H,2,9-12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyCZWVLFNYCJJWQP-UHFFFAOYSA-N
XLogP4.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46359079
1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide
CID 92876497
1-(1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 4130439
1-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 46259508
1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 6620261
1-(6-chloro-1H-benzimidazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 46359054
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876604
N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
CID 67033846
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92876600
1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 46359001
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 92876664

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide (CID 46359077) is 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide is CCc1ccc(CNC(=O)C2CCN(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1.
What is the InChIKey of 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is CZWVLFNYCJJWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-2-15-3-5-16(6-4-15)14-24-21(28)17-9-11-27(12-10-17)22-25-19-8-7-18(23)13-20(19)26-22/h3-8,13,17H,2,9-12,14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide?
1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 4.31, 5 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-ethylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46359077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).