1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole

C18H17FN2O — CID 57392265

IUPAC1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
SMILESCOc1ccc([C@H](Cc2cccc(F)c2)n2ccnc2)cc1
InChIInChI=1S/C18H17FN2O/c1-22-17-7-5-15(6-8-17)18(21-10-9-20-13-21)12-14-3-2-4-16(19)11-14/h2-11,13,18H,12H2,1H3/t18-/m0/s1
InChIKeyAWBLXJRLTGRLFA-SFHVURJKSA-N
MW296.35 g/mol
LogP3.86
Rot. Bonds5

About 1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole

1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole (PubChem CID 57392265) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
PubChem CID57392265
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole
SMILESCOc1ccc([C@H](Cc2cccc(F)c2)n2ccnc2)cc1
InChIInChI=1S/C18H17FN2O/c1-22-17-7-5-15(6-8-17)18(21-10-9-20-13-21)12-14-3-2-4-16(19)11-14/h2-11,13,18H,12H2,1H3/t18-/m0/s1
InChIKeyAWBLXJRLTGRLFA-SFHVURJKSA-N
XLogP3.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole?
The IUPAC name of 1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole (CID 57392265) is 1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole.
What is the SMILES notation for 1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole?
The canonical SMILES for 1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole is COc1ccc([C@H](Cc2cccc(F)c2)n2ccnc2)cc1.
What is the InChIKey of 1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole?
The InChIKey is AWBLXJRLTGRLFA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-22-17-7-5-15(6-8-17)18(21-10-9-20-13-21)12-14-3-2-4-16(19)11-14/h2-11,13,18H,12H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole?
1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole has a molecular weight of 296.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]imidazole is sourced from PubChem (CID 57392265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).