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

C21H18N2OS — CID 3696753

IUPAC1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole
SMILESO=S(c1ccccc1)C(Cc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C21H18N2OS/c24-25(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
InChIKeyRETUAYZHANAJEE-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.59
Rot. Bonds5

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

1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole (PubChem CID 3696753) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole.

Molecular Properties

Compound Name1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole
PubChem CID3696753
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole
SMILESO=S(c1ccccc1)C(Cc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C21H18N2OS/c24-25(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
InChIKeyRETUAYZHANAJEE-UHFFFAOYSA-N
XLogP4.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole
CID 4311819
(3R)-3-(benzimidazol-1-yl)-4-phenylbutanoic acid
CID 58653664
1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole
CID 3712903
1-benzylsulfinylbenzimidazole
CID 22394105
sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole
CID 173372966
1-(dichloromethyl)benzimidazole
CID 69189311
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700
2-[3-(benzotriazol-2-yl)-1,4-diphenylbutan-2-yl]benzotriazole
CID 3718104
2-imidazo[4,5-b]pyridin-3-yl-3-phenylpropanoic acid
CID 82514410

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole?
The IUPAC name of 1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole (CID 3696753) is 1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole.
What is the SMILES notation for 1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole?
The canonical SMILES for 1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole is O=S(c1ccccc1)C(Cc1ccccc1)n1cnc2ccccc21.
What is the InChIKey of 1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole?
The InChIKey is RETUAYZHANAJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c24-25(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-(benzenesulfinyl)-2-phenylethyl]benzimidazole?
1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole has a molecular weight of 346.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole is sourced from PubChem (CID 3696753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).