N,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide

C28H35N3O3S — CID 53318647

IUPACN,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C28H35N3O3S/c1-35(33,34)23-18-16-21(17-19-23)27-30-24-14-8-9-15-25(24)31(27)26(20-10-4-2-5-11-20)28(32)29-22-12-6-3-7-13-22/h8-9,14-20,22,26H,2-7,10-13H2,1H3,(H,29,32)
InChIKeyCHZLKWIUSQUGKL-UHFFFAOYSA-N
MW493.67 g/mol
LogP5.68
Rot. Bonds6

About N,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide (PubChem CID 53318647) has the molecular formula C28H35N3O3S and a molecular weight of 493.67 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
PubChem CID53318647
Molecular FormulaC28H35N3O3S
Molecular Weight493.67 g/mol
Exact Mass493.24
IUPAC NameN,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C28H35N3O3S/c1-35(33,34)23-18-16-21(17-19-23)27-30-24-14-8-9-15-25(24)31(27)26(20-10-4-2-5-11-20)28(32)29-22-12-6-3-7-13-22/h8-9,14-20,22,26H,2-7,10-13H2,1H3,(H,29,32)
InChIKeyCHZLKWIUSQUGKL-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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Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide (CID 53318647) is N,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide is CS(=O)(=O)c1ccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of N,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide?
The InChIKey is CHZLKWIUSQUGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3S/c1-35(33,34)23-18-16-21(17-19-23)27-30-24-14-8-9-15-25(24)31(27)26(20-10-4-2-5-11-20)28(32)29-22-12-6-3-7-13-22/h8-9,14-20,22,26H,2-7,10-13H2,1H3,(H,29,32).
What are the key properties of N,2-dicyclohexyl-2-[2-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[2-(4-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-(4-methylsulfonylphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 53318647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).