4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole

C23H20FN3 — CID 22019234

IUPAC4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F
InChIInChI=1S/C23H20FN3/c1-16(2)22-25-26-23(27(22)21-11-7-6-10-20(21)24)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,1-2H3
InChIKeyXOGABADGFOGOCV-UHFFFAOYSA-N
MW357.43 g/mol
LogP5.86
Rot. Bonds4

About 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole

4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole (PubChem CID 22019234) has the molecular formula C23H20FN3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole
PubChem CID22019234
Molecular FormulaC23H20FN3
Molecular Weight357.43 g/mol
Exact Mass357.16
IUPAC Name4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F
InChIInChI=1S/C23H20FN3/c1-16(2)22-25-26-23(27(22)21-11-7-6-10-20(21)24)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,1-2H3
InChIKeyXOGABADGFOGOCV-UHFFFAOYSA-N
XLogP5.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole (CID 22019234) is 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole is CC(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole?
The InChIKey is XOGABADGFOGOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3/c1-16(2)22-25-26-23(27(22)21-11-7-6-10-20(21)24)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h3-16H,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole?
4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole has a molecular weight of 357.43 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-(4-phenylphenyl)-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 22019234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).