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

C19H25ClN4O — CID 646112

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C19H25ClN4O/c20-14-6-7-16-17(12-14)23-18(22-16)13-8-10-24(11-9-13)19(25)21-15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2,(H,21,25)(H,22,23)
InChIKeyQRQOCEOUKIXYCR-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.44
Rot. Bonds2

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

4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 646112) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide
PubChem CID646112
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C19H25ClN4O/c20-14-6-7-16-17(12-14)23-18(22-16)13-8-10-24(11-9-13)19(25)21-15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2,(H,21,25)(H,22,23)
InChIKeyQRQOCEOUKIXYCR-UHFFFAOYSA-N
XLogP4.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Chir-124
CID 135399748
(5-chloro-1H-benzimidazol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 10446295
1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one
CID 130447905
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
CID 134814241
2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 9945233
5-Chloro-1-(phenylmethyl)-2-piperazin-1-ylbenzimidazole
CID 10806082
Benzimidazole, 5-chloro-2-(6-methyl-2-pyridyl)-
CID 49750
6-Chloro-1H-benzimidazole-2-methanamine
CID 6484117
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-chlorophenyl)methanone
CID 1430052
3-(1H-Benzoimidazol-2-yl)-piperidine-1-carboxylic acid cyclohexylamide
CID 654207
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide
CID 3164149
4-(5-Chlorobenzimidazol-2-yl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-benzamide
CID 9845284

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide (CID 646112) is 4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is QRQOCEOUKIXYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c20-14-6-7-16-17(12-14)23-18(22-16)13-8-10-24(11-9-13)19(25)21-15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2,(H,21,25)(H,22,23).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide?
4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 646112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).