2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole

C15H14N2OS — CID 685040

IUPAC2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2OS/c1-18-12-8-6-11(7-9-12)10-19-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeySFNVMKKUISRNFE-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.86
Rot. Bonds4

About 2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole

2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 685040) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
PubChem CID685040
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H14N2OS/c1-18-12-8-6-11(7-9-12)10-19-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeySFNVMKKUISRNFE-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-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazole
CID 1944110
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 1273164
N-benzyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 1387415
(1-Ethyl-1H-benzoimidazol-2-yl)-(4-methoxy-benzyl)-amine
CID 1087008
2-(2-phenoxyethylsulfonyl)-1H-benzimidazole
CID 576549
2-[(5-methoxy-1H-benzimidazol-2-yl)thio]acetamide
CID 606455
6-methoxy-2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 702869
2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 709499

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole (CID 685040) is 2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole is COc1ccc(CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is SFNVMKKUISRNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-12-8-6-11(7-9-12)10-19-15-16-13-4-2-3-5-14(13)17-15/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
2-[(4-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-[(4-methoxyphenyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 685040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).