[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone

C25H21FN2O3 — CID 14278045

IUPAC[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(-c2nc(C(=O)c3ccc(F)cc3)n(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H21FN2O3/c1-28-23(17-8-14-21(31-3)15-9-17)22(16-6-12-20(30-2)13-7-16)27-25(28)24(29)18-4-10-19(26)11-5-18/h4-15H,1-3H3
InChIKeyWNOJXBJIVAAADP-UHFFFAOYSA-N
MW416.45 g/mol
LogP5.14
Rot. Bonds6

About [4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone

[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone (PubChem CID 14278045) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is [4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone
PubChem CID14278045
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(-c2nc(C(=O)c3ccc(F)cc3)n(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H21FN2O3/c1-28-23(17-8-14-21(31-3)15-9-17)22(16-6-12-20(30-2)13-7-16)27-25(28)24(29)18-4-10-19(26)11-5-18/h4-15H,1-3H3
InChIKeyWNOJXBJIVAAADP-UHFFFAOYSA-N
XLogP5.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone (CID 14278045) is [4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone is COc1ccc(-c2nc(C(=O)c3ccc(F)cc3)n(C)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is WNOJXBJIVAAADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c1-28-23(17-8-14-21(31-3)15-9-17)22(16-6-12-20(30-2)13-7-16)27-25(28)24(29)18-4-10-19(26)11-5-18/h4-15H,1-3H3.
What are the key properties of [4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone?
[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 416.45 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 14278045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).