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

C25H27N3O2S — CID 53063363

IUPAC2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NCCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C25H27N3O2S/c1-2-21-12-6-9-15-24(21)31(29,30)26-18-19-28-23-14-8-7-13-22(23)27-25(28)17-16-20-10-4-3-5-11-20/h3-15,26H,2,16-19H2,1H3
InChIKeyPOGDZLGLYBNJQP-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.36
Rot. Bonds9

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

2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 53063363) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID53063363
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NCCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C25H27N3O2S/c1-2-21-12-6-9-15-24(21)31(29,30)26-18-19-28-23-14-8-7-13-22(23)27-25(28)17-16-20-10-4-3-5-11-20/h3-15,26H,2,16-19H2,1H3
InChIKeyPOGDZLGLYBNJQP-UHFFFAOYSA-N
XLogP4.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764
N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 46379392
1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 50762157
N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]formamide
CID 2992201
N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 50822859
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 110712008
1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 46287188
N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
CID 63105255
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063143

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (CID 53063363) is 2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is CCc1ccccc1S(=O)(=O)NCCn1c(CCc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is POGDZLGLYBNJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-2-21-12-6-9-15-24(21)31(29,30)26-18-19-28-23-14-8-7-13-22(23)27-25(28)17-16-20-10-4-3-5-11-20/h3-15,26H,2,16-19H2,1H3.
What are the key properties of 2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 433.58 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53063363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).