4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole

C25H23FN2O4 — CID 174688697

IUPAC4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole
SMILESCOc1ccc(-c2ncn(-c3ccccc3)c2-c2cc(OC)c(OC)cc2OC)cc1F
InChIInChI=1S/C25H23FN2O4/c1-29-20-11-10-16(12-19(20)26)24-25(28(15-27-24)17-8-6-5-7-9-17)18-13-22(31-3)23(32-4)14-21(18)30-2/h5-15H,1-4H3
InChIKeyZYRCZMMTAFVMJT-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.38
Rot. Bonds7

About 4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole

4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole (PubChem CID 174688697) has the molecular formula C25H23FN2O4 and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole
PubChem CID174688697
Molecular FormulaC25H23FN2O4
Molecular Weight434.47 g/mol
Exact Mass434.16
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole
SMILESCOc1ccc(-c2ncn(-c3ccccc3)c2-c2cc(OC)c(OC)cc2OC)cc1F
InChIInChI=1S/C25H23FN2O4/c1-29-20-11-10-16(12-19(20)26)24-25(28(15-27-24)17-8-6-5-7-9-17)18-13-22(31-3)23(32-4)14-21(18)30-2/h5-15H,1-4H3
InChIKeyZYRCZMMTAFVMJT-UHFFFAOYSA-N
XLogP5.38
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole (CID 174688697) is 4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole is COc1ccc(-c2ncn(-c3ccccc3)c2-c2cc(OC)c(OC)cc2OC)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole?
The InChIKey is ZYRCZMMTAFVMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O4/c1-29-20-11-10-16(12-19(20)26)24-25(28(15-27-24)17-8-6-5-7-9-17)18-13-22(31-3)23(32-4)14-21(18)30-2/h5-15H,1-4H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole?
4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole has a molecular weight of 434.47 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-1-phenyl-5-(2,4,5-trimethoxyphenyl)imidazole is sourced from PubChem (CID 174688697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).