[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol

C17H21FN2O — CID 155505550

IUPAC[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol
SMILESCc1cc(F)ccc1-c1nccn1[C@@H]1CCC[C@H](CO)C1
InChIInChI=1S/C17H21FN2O/c1-12-9-14(18)5-6-16(12)17-19-7-8-20(17)15-4-2-3-13(10-15)11-21/h5-9,13,15,21H,2-4,10-11H2,1H3/t13-,15+/m0/s1
InChIKeyDUIVYMUOMNOBPE-DZGCQCFKSA-N
MW288.37 g/mol
LogP3.72
Rot. Bonds3

About [(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol

[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol (PubChem CID 155505550) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is [(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol
PubChem CID155505550
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol
SMILESCc1cc(F)ccc1-c1nccn1[C@@H]1CCC[C@H](CO)C1
InChIInChI=1S/C17H21FN2O/c1-12-9-14(18)5-6-16(12)17-19-7-8-20(17)15-4-2-3-13(10-15)11-21/h5-9,13,15,21H,2-4,10-11H2,1H3/t13-,15+/m0/s1
InChIKeyDUIVYMUOMNOBPE-DZGCQCFKSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol?
The IUPAC name of [(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol (CID 155505550) is [(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol.
What is the SMILES notation for [(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol?
The canonical SMILES for [(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol is Cc1cc(F)ccc1-c1nccn1[C@@H]1CCC[C@H](CO)C1.
What is the InChIKey of [(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol?
The InChIKey is DUIVYMUOMNOBPE-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12-9-14(18)5-6-16(12)17-19-7-8-20(17)15-4-2-3-13(10-15)11-21/h5-9,13,15,21H,2-4,10-11H2,1H3/t13-,15+/m0/s1.
What are the key properties of [(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol?
[(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol has a molecular weight of 288.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]cyclohexyl]methanol is sourced from PubChem (CID 155505550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).