[2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol

C15H13ClN2OS — CID 63836193

IUPAC[2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
SMILESCc1ccc2nc(Sc3cccc(Cl)c3CO)[nH]c2c1
InChIInChI=1S/C15H13ClN2OS/c1-9-5-6-12-13(7-9)18-15(17-12)20-14-4-2-3-11(16)10(14)8-19/h2-7,19H,8H2,1H3,(H,17,18)
InChIKeyXYLQLPMMLFIXQE-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.17
Rot. Bonds3

About [2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol

[2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol (PubChem CID 63836193) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is [2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
PubChem CID63836193
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name[2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
SMILESCc1ccc2nc(Sc3cccc(Cl)c3CO)[nH]c2c1
InChIInChI=1S/C15H13ClN2OS/c1-9-5-6-12-13(7-9)18-15(17-12)20-14-4-2-3-11(16)10(14)8-19/h2-7,19H,8H2,1H3,(H,17,18)
InChIKeyXYLQLPMMLFIXQE-UHFFFAOYSA-N
XLogP4.17
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 79516723
1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol
CID 115997228
[2-chloro-6-(3-methylphenyl)sulfanylphenyl]methanol
CID 63835095
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
N'-hydroxy-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
CID 76975219
1-[4-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114864533
2-(2-chlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62875765
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 107930978
3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761461
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951491
2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 64806306

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol?
The IUPAC name of [2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol (CID 63836193) is [2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol is Cc1ccc2nc(Sc3cccc(Cl)c3CO)[nH]c2c1.
What is the InChIKey of [2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol?
The InChIKey is XYLQLPMMLFIXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-9-5-6-12-13(7-9)18-15(17-12)20-14-4-2-3-11(16)10(14)8-19/h2-7,19H,8H2,1H3,(H,17,18).
What are the key properties of [2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol?
[2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol has a molecular weight of 304.80 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol is sourced from PubChem (CID 63836193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).