1-benzylsulfinylbenzimidazole

C14H12N2OS — CID 22394105

IUPAC1-benzylsulfinylbenzimidazole
SMILESO=S(Cc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C14H12N2OS/c17-18(10-12-6-2-1-3-7-12)16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
InChIKeyZLFCBWCQCULIAQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.75
Rot. Bonds3

About 1-benzylsulfinylbenzimidazole

1-benzylsulfinylbenzimidazole (PubChem CID 22394105) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-benzylsulfinylbenzimidazole.

Molecular Properties

Compound Name1-benzylsulfinylbenzimidazole
PubChem CID22394105
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-benzylsulfinylbenzimidazole
SMILESO=S(Cc1ccccc1)n1cnc2ccccc21
InChIInChI=1S/C14H12N2OS/c17-18(10-12-6-2-1-3-7-12)16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
InChIKeyZLFCBWCQCULIAQ-UHFFFAOYSA-N
XLogP2.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-2-ylmethylsulfinyl)benzimidazole
CID 22479289
benzimidazole-1-sulfinate
CID 56998741
1-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole
CID 67585346
1-[1-(benzenesulfinyl)-2-phenylethyl]benzimidazole
CID 3696753
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-benzylsulfanylbenzimidazole
CID 22394082
(3R)-3-(benzimidazol-1-yl)-4-phenylbutanoic acid
CID 58653664
1-[1-(benzenesulfonyl)-2-phenylethyl]benzimidazole
CID 4311819
1-(benzimidazol-1-yl)-3-phenylpropan-1-one
CID 4630006
benzimidazol-1-yl sulfite
CID 57025015
1-(2-phenyl-1-phenylsulfanylethyl)benzimidazole
CID 3712903
1-(18-phenyloctadecyl)benzimidazole
CID 67925718

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfinylbenzimidazole?
The IUPAC name of 1-benzylsulfinylbenzimidazole (CID 22394105) is 1-benzylsulfinylbenzimidazole.
What is the SMILES notation for 1-benzylsulfinylbenzimidazole?
The canonical SMILES for 1-benzylsulfinylbenzimidazole is O=S(Cc1ccccc1)n1cnc2ccccc21.
What is the InChIKey of 1-benzylsulfinylbenzimidazole?
The InChIKey is ZLFCBWCQCULIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-18(10-12-6-2-1-3-7-12)16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2.
What are the key properties of 1-benzylsulfinylbenzimidazole?
1-benzylsulfinylbenzimidazole has a molecular weight of 256.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfinylbenzimidazole is sourced from PubChem (CID 22394105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).