N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride

C28H34ClN7O — CID 68693887

IUPACN,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2cccc(-c3nn[nH]n3)c2)nc2ccccc21.[Cl-].[H+]
InChIInChI=1S/C28H33N7O.ClH/c36-28(29-22-14-5-2-6-15-22)25(19-10-3-1-4-11-19)35-24-17-8-7-16-23(24)30-27(35)21-13-9-12-20(18-21)26-31-33-34-32-26;/h7-9,12-13,16-19,22,25H,1-6,10-11,14-15H2,(H,29,36)(H,31,32,33,34);1H
InChIKeyNZQCQGSJFLMLGI-UHFFFAOYSA-N
MW520.08 g/mol
LogP2.57
Rot. Bonds6

About N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride

N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride (PubChem CID 68693887) has the molecular formula C28H34ClN7O and a molecular weight of 520.08 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
PubChem CID68693887
Molecular FormulaC28H34ClN7O
Molecular Weight520.08 g/mol
Exact Mass519.25
IUPAC NameN,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2cccc(-c3nn[nH]n3)c2)nc2ccccc21.[Cl-].[H+]
InChIInChI=1S/C28H33N7O.ClH/c36-28(29-22-14-5-2-6-15-22)25(19-10-3-1-4-11-19)35-24-17-8-7-16-23(24)30-27(35)21-13-9-12-20(18-21)26-31-33-34-32-26;/h7-9,12-13,16-19,22,25H,1-6,10-11,14-15H2,(H,29,36)(H,31,32,33,34);1H
InChIKeyNZQCQGSJFLMLGI-UHFFFAOYSA-N
XLogP2.57
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.08
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707
N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
CID 68692288
N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 68695803
(2S)-N,2-dicyclohexyl-2-[2-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]acetamide
CID 25133131
N,2-dicyclohexyl-2-[2-[4-(1,2,4-triazol-4-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
CID 68693854
N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 68694070
N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
CID 68698002
N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide
CID 68693949
(2S)-2-[2-(4-chlorophenyl)-5,6-difluorobenzimidazol-1-yl]-2-cyclohexyl-N-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 53326213
(2S)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68694608
N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 68694561
N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide
CID 68698346

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride?
The IUPAC name of N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride (CID 68693887) is N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride?
The canonical SMILES for N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride is O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2cccc(-c3nn[nH]n3)c2)nc2ccccc21.[Cl-].[H+].
What is the InChIKey of N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride?
The InChIKey is NZQCQGSJFLMLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O.ClH/c36-28(29-22-14-5-2-6-15-22)25(19-10-3-1-4-11-19)35-24-17-8-7-16-23(24)30-27(35)21-13-9-12-20(18-21)26-31-33-34-32-26;/h7-9,12-13,16-19,22,25H,1-6,10-11,14-15H2,(H,29,36)(H,31,32,33,34);1H.
What are the key properties of N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride?
N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride has a molecular weight of 520.08 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride is sourced from PubChem (CID 68693887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).