(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol

C16H16N2O2S — CID 63812775

IUPAC(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCOc1ccc2nc(Sc3ccc([C@@H](C)O)cc3)[nH]c2c1
InChIInChI=1S/C16H16N2O2S/c1-10(19)11-3-6-13(7-4-11)21-16-17-14-8-5-12(20-2)9-15(14)18-16/h3-10,19H,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyQQBZWGGRBCDBLX-SNVBAGLBSA-N
MW300.38 g/mol
LogP3.78
Rot. Bonds4

About (1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol

(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol (PubChem CID 63812775) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is (1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
PubChem CID63812775
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCOc1ccc2nc(Sc3ccc([C@@H](C)O)cc3)[nH]c2c1
InChIInChI=1S/C16H16N2O2S/c1-10(19)11-3-6-13(7-4-11)21-16-17-14-8-5-12(20-2)9-15(14)18-16/h3-10,19H,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyQQBZWGGRBCDBLX-SNVBAGLBSA-N
XLogP3.78
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951491
1-[5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]ethanone
CID 83119904
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-ol
CID 3439655
6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole
CID 112775399
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63813247
2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole
CID 61228416
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole
CID 38866722
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
N'-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanimidamide
CID 76915209
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol (CID 63812775) is (1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol is COc1ccc2nc(Sc3ccc([C@@H](C)O)cc3)[nH]c2c1.
What is the InChIKey of (1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
The InChIKey is QQBZWGGRBCDBLX-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10(19)11-3-6-13(7-4-11)21-16-17-14-8-5-12(20-2)9-15(14)18-16/h3-10,19H,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol has a molecular weight of 300.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol is sourced from PubChem (CID 63812775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).