1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole

C21H18N2S — CID 3712903

IUPAC1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole
SMILESc1ccc(CC(Sc2ccccc2)n2cnc3ccccc32)cc1
InChIInChI=1S/C21H18N2S/c1-3-9-17(10-4-1)15-21(24-18-11-5-2-6-12-18)23-16-22-19-13-7-8-14-20(19)23/h1-14,16,21H,15H2
InChIKeyKFJOMIASFFZEDV-UHFFFAOYSA-N
MW330.46 g/mol
LogP5.57
Rot. Bonds5

About 1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole

1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole (PubChem CID 3712903) has the molecular formula C21H18N2S and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole
PubChem CID3712903
Molecular FormulaC21H18N2S
Molecular Weight330.46 g/mol
Exact Mass330.12
IUPAC Name1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole
SMILESc1ccc(CC(Sc2ccccc2)n2cnc3ccccc32)cc1
InChIInChI=1S/C21H18N2S/c1-3-9-17(10-4-1)15-21(24-18-11-5-2-6-12-18)23-16-22-19-13-7-8-14-20(19)23/h1-14,16,21H,15H2
InChIKeyKFJOMIASFFZEDV-UHFFFAOYSA-N
XLogP5.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole
CID 4311819
sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole
CID 173372966
1-(dichloromethyl)benzimidazole
CID 69189311
1-phenylsulfanylbenzimidazole
CID 13096820
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
1-(phenylsulfanylmethyl)benzimidazole
CID 1042754
1-benzylsulfanylbenzimidazole
CID 22394082
2-[3-(benzotriazol-2-yl)-1,4-diphenylbutan-2-yl]benzotriazole
CID 3718104
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
1-(benzimidazol-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 3323269

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole?
The IUPAC name of 1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole (CID 3712903) is 1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole.
What is the SMILES notation for 1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole?
The canonical SMILES for 1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole is c1ccc(CC(Sc2ccccc2)n2cnc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole?
The InChIKey is KFJOMIASFFZEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2S/c1-3-9-17(10-4-1)15-21(24-18-11-5-2-6-12-18)23-16-22-19-13-7-8-14-20(19)23/h1-14,16,21H,15H2.
What are the key properties of 1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole?
1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole has a molecular weight of 330.46 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole is sourced from PubChem (CID 3712903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).