(1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol

C16H15FN2OS — CID 63835956

IUPAC(1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCc1ccc2nc(Sc3ccc([C@@H](C)O)cc3F)[nH]c2c1
InChIInChI=1S/C16H15FN2OS/c1-9-3-5-13-14(7-9)19-16(18-13)21-15-6-4-11(10(2)20)8-12(15)17/h3-8,10,20H,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyASAVBXADYQBDGD-SNVBAGLBSA-N
MW302.37 g/mol
LogP4.21
Rot. Bonds3

About (1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol

(1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol (PubChem CID 63835956) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
PubChem CID63835956
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name(1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
SMILESCc1ccc2nc(Sc3ccc([C@@H](C)O)cc3F)[nH]c2c1
InChIInChI=1S/C16H15FN2OS/c1-9-3-5-13-14(7-9)19-16(18-13)21-15-6-4-11(10(2)20)8-12(15)17/h3-8,10,20H,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyASAVBXADYQBDGD-SNVBAGLBSA-N
XLogP4.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol (CID 63835956) is (1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol is Cc1ccc2nc(Sc3ccc([C@@H](C)O)cc3F)[nH]c2c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
The InChIKey is ASAVBXADYQBDGD-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-9-3-5-13-14(7-9)19-16(18-13)21-15-6-4-11(10(2)20)8-12(15)17/h3-8,10,20H,1-2H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol?
(1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol has a molecular weight of 302.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol is sourced from PubChem (CID 63835956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).