[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol

C18H17FN2O — CID 125481305

IUPAC[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol
SMILESC[C@@H](c1ccccc1-c1ccc(F)cc1)n1cncc1CO
InChIInChI=1S/C18H17FN2O/c1-13(21-12-20-10-16(21)11-22)17-4-2-3-5-18(17)14-6-8-15(19)9-7-14/h2-10,12-13,22H,11H2,1H3/t13-/m0/s1
InChIKeyRQZUEYRTAFNCEV-ZDUSSCGKSA-N
MW296.35 g/mol
LogP3.79
Rot. Bonds4

About [3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol

[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol (PubChem CID 125481305) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is [3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol
PubChem CID125481305
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol
SMILESC[C@@H](c1ccccc1-c1ccc(F)cc1)n1cncc1CO
InChIInChI=1S/C18H17FN2O/c1-13(21-12-20-10-16(21)11-22)17-4-2-3-5-18(17)14-6-8-15(19)9-7-14/h2-10,12-13,22H,11H2,1H3/t13-/m0/s1
InChIKeyRQZUEYRTAFNCEV-ZDUSSCGKSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol (CID 125481305) is [3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol is C[C@@H](c1ccccc1-c1ccc(F)cc1)n1cncc1CO.
What is the InChIKey of [3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol?
The InChIKey is RQZUEYRTAFNCEV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-13(21-12-20-10-16(21)11-22)17-4-2-3-5-18(17)14-6-8-15(19)9-7-14/h2-10,12-13,22H,11H2,1H3/t13-/m0/s1.
What are the key properties of [3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol?
[3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol has a molecular weight of 296.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-[2-(4-fluorophenyl)phenyl]ethyl]imidazol-4-yl]methanol is sourced from PubChem (CID 125481305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).