2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole

C24H20FN3 — CID 4198422

IUPAC2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2=CC(c3ccccc3F)n3c(nc4ccccc43)N2)cc1C
InChIInChI=1S/C24H20FN3/c1-15-11-12-17(13-16(15)2)21-14-23(18-7-3-4-8-19(18)25)28-22-10-6-5-9-20(22)26-24(28)27-21/h3-14,23H,1-2H3,(H,26,27)
InChIKeyJAIGJINBIKLSBX-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.85
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole

2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 4198422) has the molecular formula C24H20FN3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID4198422
Molecular FormulaC24H20FN3
Molecular Weight369.44 g/mol
Exact Mass369.16
IUPAC Name2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCc1ccc(C2=CC(c3ccccc3F)n3c(nc4ccccc43)N2)cc1C
InChIInChI=1S/C24H20FN3/c1-15-11-12-17(13-16(15)2)21-14-23(18-7-3-4-8-19(18)25)28-22-10-6-5-9-20(22)26-24(28)27-21/h3-14,23H,1-2H3,(H,26,27)
InChIKeyJAIGJINBIKLSBX-UHFFFAOYSA-N
XLogP5.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 4198422) is 2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is Cc1ccc(C2=CC(c3ccccc3F)n3c(nc4ccccc43)N2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is JAIGJINBIKLSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3/c1-15-11-12-17(13-16(15)2)21-14-23(18-7-3-4-8-19(18)25)28-22-10-6-5-9-20(22)26-24(28)27-21/h3-14,23H,1-2H3,(H,26,27).
What are the key properties of 2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 369.44 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 4198422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).