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

C25H27N3O2S — CID 53063351

IUPAC2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H27N3O2S/c1-19-12-14-24(20(2)18-19)31(29,30)26-16-17-28-23-11-7-6-10-22(23)27-25(28)15-13-21-8-4-3-5-9-21/h3-12,14,18,26H,13,15-17H2,1-2H3
InChIKeyPBYNJIKQSSUOEG-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.42
Rot. Bonds8

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

2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 53063351) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID53063351
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H27N3O2S/c1-19-12-14-24(20(2)18-19)31(29,30)26-16-17-28-23-11-7-6-10-22(23)27-25(28)15-13-21-8-4-3-5-9-21/h3-12,14,18,26H,13,15-17H2,1-2H3
InChIKeyPBYNJIKQSSUOEG-UHFFFAOYSA-N
XLogP4.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (CID 53063351) is 2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is PBYNJIKQSSUOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-19-12-14-24(20(2)18-19)31(29,30)26-16-17-28-23-11-7-6-10-22(23)27-25(28)15-13-21-8-4-3-5-9-21/h3-12,14,18,26H,13,15-17H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 433.58 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53063351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).