4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole

C22H20F5N3 — CID 67557145

IUPAC4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole
SMILESCCCn1c(C(F)(F)F)nc2cc(F)ccc21.Fc1ccc(C2=CC=NCC2)cc1
InChIInChI=1S/C11H10F4N2.C11H10FN/c1-2-5-17-9-4-3-7(12)6-8(9)16-10(17)11(13,14)15;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h3-4,6H,2,5H2,1H3;1-5,7H,6,8H2
InChIKeyFHHKNKKLXKNEMJ-UHFFFAOYSA-N
MW421.41 g/mol
LogP6.29
Rot. Bonds3

About 4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole

4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole (PubChem CID 67557145) has the molecular formula C22H20F5N3 and a molecular weight of 421.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole
PubChem CID67557145
Molecular FormulaC22H20F5N3
Molecular Weight421.41 g/mol
Exact Mass421.16
IUPAC Name4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole
SMILESCCCn1c(C(F)(F)F)nc2cc(F)ccc21.Fc1ccc(C2=CC=NCC2)cc1
InChIInChI=1S/C11H10F4N2.C11H10FN/c1-2-5-17-9-4-3-7(12)6-8(9)16-10(17)11(13,14)15;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h3-4,6H,2,5H2,1H3;1-5,7H,6,8H2
InChIKeyFHHKNKKLXKNEMJ-UHFFFAOYSA-N
XLogP6.29
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.41
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole 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-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole (CID 67557145) is 4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole is CCCn1c(C(F)(F)F)nc2cc(F)ccc21.Fc1ccc(C2=CC=NCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is FHHKNKKLXKNEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2.C11H10FN/c1-2-5-17-9-4-3-7(12)6-8(9)16-10(17)11(13,14)15;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h3-4,6H,2,5H2,1H3;1-5,7H,6,8H2.
What are the key properties of 4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole?
4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 421.41 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,3-dihydropyridine;5-fluoro-1-propyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 67557145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).