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

C15H14N2O2S — CID 63813247

IUPAC[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
SMILESCOc1ccc2nc(Sc3ccccc3CO)[nH]c2c1
InChIInChI=1S/C15H14N2O2S/c1-19-11-6-7-12-13(8-11)17-15(16-12)20-14-5-3-2-4-10(14)9-18/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyGBDFSKIYUAVIPC-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.21
Rot. Bonds4

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

[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol (PubChem CID 63813247) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
PubChem CID63813247
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
SMILESCOc1ccc2nc(Sc3ccccc3CO)[nH]c2c1
InChIInChI=1S/C15H14N2O2S/c1-19-11-6-7-12-13(8-11)17-15(16-12)20-14-5-3-2-4-10(14)9-18/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyGBDFSKIYUAVIPC-UHFFFAOYSA-N
XLogP3.21
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
CID 28602002
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651608
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
(2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 7152425
6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole
CID 112775399
[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 63087024
2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole
CID 61228416
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46620892
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-ol
CID 3439655

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol?
The IUPAC name of [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol (CID 63813247) is [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol.
What is the SMILES notation for [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol?
The canonical SMILES for [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol is COc1ccc2nc(Sc3ccccc3CO)[nH]c2c1.
What is the InChIKey of [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol?
The InChIKey is GBDFSKIYUAVIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-19-11-6-7-12-13(8-11)17-15(16-12)20-14-5-3-2-4-10(14)9-18/h2-8,18H,9H2,1H3,(H,16,17).
What are the key properties of [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol?
[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol has a molecular weight of 286.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol is sourced from PubChem (CID 63813247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).