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

C16H16N2OS — CID 78951491

IUPAC(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCc1ccc2nc(Sc3ccc([C@@H](C)O)cc3)[nH]c2c1
InChIInChI=1S/C16H16N2OS/c1-10-3-8-14-15(9-10)18-16(17-14)20-13-6-4-12(5-7-13)11(2)19/h3-9,11,19H,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyXEIVDQXSWLBVNK-LLVKDONJSA-N
MW284.38 g/mol
LogP4.08
Rot. Bonds3

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

(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol (PubChem CID 78951491) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is (1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
PubChem CID78951491
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCc1ccc2nc(Sc3ccc([C@@H](C)O)cc3)[nH]c2c1
InChIInChI=1S/C16H16N2OS/c1-10-3-8-14-15(9-10)18-16(17-14)20-13-6-4-12(5-7-13)11(2)19/h3-9,11,19H,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyXEIVDQXSWLBVNK-LLVKDONJSA-N
XLogP4.08
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
(1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63835956
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzoic acid
CID 62875595
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 62873903
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
3-fluoro-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874412
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 102818482
1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]propan-1-ol
CID 115997228
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 107930978

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol (CID 78951491) is (1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol is Cc1ccc2nc(Sc3ccc([C@@H](C)O)cc3)[nH]c2c1.
What is the InChIKey of (1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
The InChIKey is XEIVDQXSWLBVNK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-3-8-14-15(9-10)18-16(17-14)20-13-6-4-12(5-7-13)11(2)19/h3-9,11,19H,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol has a molecular weight of 284.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol is sourced from PubChem (CID 78951491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).