4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

C29H33N3O2S — CID 53063344

IUPAC4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1c(CCc2ccccc2)nc2ccccc21)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C29H33N3O2S/c33-35(34,26-18-16-25(17-19-26)24-11-5-2-6-12-24)30-21-22-32-28-14-8-7-13-27(28)31-29(32)20-15-23-9-3-1-4-10-23/h1,3-4,7-10,13-14,16-19,24,30H,2,5-6,11-12,15,20-22H2
InChIKeyYBIGCCIQKUJKRE-UHFFFAOYSA-N
MW487.67 g/mol
LogP5.85
Rot. Bonds9

About 4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 53063344) has the molecular formula C29H33N3O2S and a molecular weight of 487.67 g/mol. Its IUPAC name is 4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID53063344
Molecular FormulaC29H33N3O2S
Molecular Weight487.67 g/mol
Exact Mass487.23
IUPAC Name4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1c(CCc2ccccc2)nc2ccccc21)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C29H33N3O2S/c33-35(34,26-18-16-25(17-19-26)24-11-5-2-6-12-24)30-21-22-32-28-14-8-7-13-27(28)31-29(32)20-15-23-9-3-1-4-10-23/h1,3-4,7-10,13-14,16-19,24,30H,2,5-6,11-12,15,20-22H2
InChIKeyYBIGCCIQKUJKRE-UHFFFAOYSA-N
XLogP5.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.67
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (CID 53063344) is 4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCn1c(CCc2ccccc2)nc2ccccc21)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is YBIGCCIQKUJKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2S/c33-35(34,26-18-16-25(17-19-26)24-11-5-2-6-12-24)30-21-22-32-28-14-8-7-13-27(28)31-29(32)20-15-23-9-3-1-4-10-23/h1,3-4,7-10,13-14,16-19,24,30H,2,5-6,11-12,15,20-22H2.
What are the key properties of 4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 487.67 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53063344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).