N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide

C28H35N3O3S — CID 68692288

IUPACN,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)c1cccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C28H35N3O3S/c1-35(33,34)23-16-10-13-21(19-23)27-30-24-17-8-9-18-25(24)31(27)26(20-11-4-2-5-12-20)28(32)29-22-14-6-3-7-15-22/h8-10,13,16-20,22,26H,2-7,11-12,14-15H2,1H3,(H,29,32)
InChIKeyPTNZSSDEKQVLFR-UHFFFAOYSA-N
MW493.67 g/mol
LogP5.68
Rot. Bonds6

About N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide (PubChem CID 68692288) has the molecular formula C28H35N3O3S and a molecular weight of 493.67 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
PubChem CID68692288
Molecular FormulaC28H35N3O3S
Molecular Weight493.67 g/mol
Exact Mass493.24
IUPAC NameN,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)c1cccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C28H35N3O3S/c1-35(33,34)23-16-10-13-21(19-23)27-30-24-17-8-9-18-25(24)31(27)26(20-11-4-2-5-12-20)28(32)29-22-14-6-3-7-15-22/h8-10,13,16-20,22,26H,2-7,11-12,14-15H2,1H3,(H,29,32)
InChIKeyPTNZSSDEKQVLFR-UHFFFAOYSA-N
XLogP5.68
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.67
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707
N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
CID 68698002
N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 68695803
N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 68694070
N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
CID 68693887
(2S)-N,2-dicyclohexyl-2-[2-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]acetamide
CID 25133131
N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide
CID 68693676
N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide
CID 68693949
N,2-dicyclohexyl-2-[2-[4-(1,2,4-triazol-4-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
CID 68693854
(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-methylsulfonylphenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide (CID 68692288) is N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide is CS(=O)(=O)c1cccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide?
The InChIKey is PTNZSSDEKQVLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3S/c1-35(33,34)23-16-10-13-21(19-23)27-30-24-17-8-9-18-25(24)31(27)26(20-11-4-2-5-12-20)28(32)29-22-14-6-3-7-15-22/h8-10,13,16-20,22,26H,2-7,11-12,14-15H2,1H3,(H,29,32).
What are the key properties of N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide has a molecular weight of 493.67 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 68692288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).