4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole

C20H14FN3S — CID 4120834

IUPAC4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESFc1ccccc1C1C=C(c2cccs2)Nc2nc3ccccc3n21
InChIInChI=1S/C20H14FN3S/c21-14-7-2-1-6-13(14)18-12-16(19-10-5-11-25-19)23-20-22-15-8-3-4-9-17(15)24(18)20/h1-12,18H,(H,22,23)
InChIKeyDJJMZIWMIPYSDF-UHFFFAOYSA-N
MW347.42 g/mol
LogP5.29
Rot. Bonds2

About 4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole

4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 4120834) has the molecular formula C20H14FN3S and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID4120834
Molecular FormulaC20H14FN3S
Molecular Weight347.42 g/mol
Exact Mass347.09
IUPAC Name4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESFc1ccccc1C1C=C(c2cccs2)Nc2nc3ccccc3n21
InChIInChI=1S/C20H14FN3S/c21-14-7-2-1-6-13(14)18-12-16(19-10-5-11-25-19)23-20-22-15-8-3-4-9-17(15)24(18)20/h1-12,18H,(H,22,23)
InChIKeyDJJMZIWMIPYSDF-UHFFFAOYSA-N
XLogP5.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]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-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 4120834) is 4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole is Fc1ccccc1C1C=C(c2cccs2)Nc2nc3ccccc3n21.
What is the InChIKey of 4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is DJJMZIWMIPYSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3S/c21-14-7-2-1-6-13(14)18-12-16(19-10-5-11-25-19)23-20-22-15-8-3-4-9-17(15)24(18)20/h1-12,18H,(H,22,23).
What are the key properties of 4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole?
4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 347.42 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-thiophen-2-yl-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 4120834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).