[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol

C14H13N3O2S — CID 80651608

IUPAC[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol
SMILESCOc1ccc2nc(Sc3ccc(CO)cn3)[nH]c2c1
InChIInChI=1S/C14H13N3O2S/c1-19-10-3-4-11-12(6-10)17-14(16-11)20-13-5-2-9(8-18)7-15-13/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyRNGIDPKYEQBLRJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.61
Rot. Bonds4

About [6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol

[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol (PubChem CID 80651608) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is [6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol
PubChem CID80651608
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol
SMILESCOc1ccc2nc(Sc3ccc(CO)cn3)[nH]c2c1
InChIInChI=1S/C14H13N3O2S/c1-19-10-3-4-11-12(6-10)17-14(16-11)20-13-5-2-9(8-18)7-15-13/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyRNGIDPKYEQBLRJ-UHFFFAOYSA-N
XLogP2.61
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol with MolForge

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Related Compounds

2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
CID 80640192
[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63813247
2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole
CID 61228416
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
CID 62482154
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80735327
[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 63087024
1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone
CID 83119904
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
2-(6-chloropyridazin-3-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 43260467

Frequently Asked Questions

What is the IUPAC name of [6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol?
The IUPAC name of [6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol (CID 80651608) is [6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol is COc1ccc2nc(Sc3ccc(CO)cn3)[nH]c2c1.
What is the InChIKey of [6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol?
The InChIKey is RNGIDPKYEQBLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-10-3-4-11-12(6-10)17-14(16-11)20-13-5-2-9(8-18)7-15-13/h2-7,18H,8H2,1H3,(H,16,17).
What are the key properties of [6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol?
[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol has a molecular weight of 287.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol is sourced from PubChem (CID 80651608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).