(1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol

C18H17FN2O — CID 136589475

IUPAC(1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol
SMILESC[C@H](O)c1cccc(-c2cc(F)cc(Cn3ccnc3)c2)c1
InChIInChI=1S/C18H17FN2O/c1-13(22)15-3-2-4-16(9-15)17-7-14(8-18(19)10-17)11-21-6-5-20-12-21/h2-10,12-13,22H,11H2,1H3/t13-/m0/s1
InChIKeyWNVZWNWYYUTQII-ZDUSSCGKSA-N
MW296.35 g/mol
LogP3.79
Rot. Bonds4

About (1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol

(1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol (PubChem CID 136589475) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is (1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol
PubChem CID136589475
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name(1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol
SMILESC[C@H](O)c1cccc(-c2cc(F)cc(Cn3ccnc3)c2)c1
InChIInChI=1S/C18H17FN2O/c1-13(22)15-3-2-4-16(9-15)17-7-14(8-18(19)10-17)11-21-6-5-20-12-21/h2-10,12-13,22H,11H2,1H3/t13-/m0/s1
InChIKeyWNVZWNWYYUTQII-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 (1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol (CID 136589475) is (1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol is C[C@H](O)c1cccc(-c2cc(F)cc(Cn3ccnc3)c2)c1.
What is the InChIKey of (1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol?
The InChIKey is WNVZWNWYYUTQII-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-13(22)15-3-2-4-16(9-15)17-7-14(8-18(19)10-17)11-21-6-5-20-12-21/h2-10,12-13,22H,11H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol?
(1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol 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 (1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol is sourced from PubChem (CID 136589475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).