1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole

C21H18N2O2S — CID 4311819

IUPAC1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole
SMILESO=S(=O)(c1ccccc1)C(Cc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C21H18N2O2S/c24-26(25,18-11-5-2-6-12-18)21(15-17-9-3-1-4-10-17)23-16-22-19-13-7-8-14-20(19)23/h1-14,16,21H,15H2
InChIKeyATJMGMNXZRFGLJ-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.25
Rot. Bonds5

About 1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole

1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole (PubChem CID 4311819) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole
PubChem CID4311819
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole
SMILESO=S(=O)(c1ccccc1)C(Cc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C21H18N2O2S/c24-26(25,18-11-5-2-6-12-18)21(15-17-9-3-1-4-10-17)23-16-22-19-13-7-8-14-20(19)23/h1-14,16,21H,15H2
InChIKeyATJMGMNXZRFGLJ-UHFFFAOYSA-N
XLogP4.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole
CID 3696753
(3R)-3-(benzimidazol-1-yl)-4-phenylbutanoic acid
CID 58653664
1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole
CID 3712903
sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole
CID 173372966
1-(dichloromethyl)benzimidazole
CID 69189311
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
N-(benzimidazol-1-yl)benzenesulfonamide
CID 118414889
1-benzylsulfinylbenzimidazole
CID 22394105
[4-[benzimidazol-1-yl(phenylmethoxy)methyl]phenyl] 4-methylbenzenesulfonate
CID 102079654
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole?
The IUPAC name of 1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole (CID 4311819) is 1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole?
The canonical SMILES for 1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole is O=S(=O)(c1ccccc1)C(Cc1ccccc1)n1cnc2ccccc21.
What is the InChIKey of 1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole?
The InChIKey is ATJMGMNXZRFGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-26(25,18-11-5-2-6-12-18)21(15-17-9-3-1-4-10-17)23-16-22-19-13-7-8-14-20(19)23/h1-14,16,21H,15H2.
What are the key properties of 1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole?
1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole has a molecular weight of 362.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole is sourced from PubChem (CID 4311819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).