2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole

C15H14N2OS — CID 752044

IUPAC2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N2OS/c1-18-14-9-5-2-6-11(14)10-19-15-16-12-7-3-4-8-13(12)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyWLGDHWVTVNQGOE-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.86
Rot. Bonds4

About 2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole

2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 752044) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
PubChem CID752044
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N2OS/c1-18-14-9-5-2-6-11(14)10-19-15-16-12-7-3-4-8-13(12)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyWLGDHWVTVNQGOE-UHFFFAOYSA-N
XLogP3.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 7756067
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole
CID 173285407
8-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyquinoline
CID 19866676
5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methoxyaniline
CID 28550566
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 40739070
2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 11573605
2-[(4-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
CID 14578637
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile;hydrobromide
CID 20997813
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765032

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole (CID 752044) is 2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole is COc1ccccc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is WLGDHWVTVNQGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-14-9-5-2-6-11(14)10-19-15-16-12-7-3-4-8-13(12)17-15/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 270.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 752044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).