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

C23H18FN3O — CID 5147781

IUPAC4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCOc1cccc(C2=CC(c3ccccc3F)n3c(nc4ccccc43)N2)c1
InChIInChI=1S/C23H18FN3O/c1-28-16-8-6-7-15(13-16)20-14-22(17-9-2-3-10-18(17)24)27-21-12-5-4-11-19(21)25-23(27)26-20/h2-14,22H,1H3,(H,25,26)
InChIKeyQFKMRYSZUJGUTF-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.24
Rot. Bonds3

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

4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (PubChem CID 5147781) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
PubChem CID5147781
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
SMILESCOc1cccc(C2=CC(c3ccccc3F)n3c(nc4ccccc43)N2)c1
InChIInChI=1S/C23H18FN3O/c1-28-16-8-6-7-15(13-16)20-14-22(17-9-2-3-10-18(17)24)27-21-12-5-4-11-19(21)25-23(27)26-20/h2-14,22H,1H3,(H,25,26)
InChIKeyQFKMRYSZUJGUTF-UHFFFAOYSA-N
XLogP5.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole (CID 5147781) is 4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is COc1cccc(C2=CC(c3ccccc3F)n3c(nc4ccccc43)N2)c1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
The InChIKey is QFKMRYSZUJGUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-28-16-8-6-7-15(13-16)20-14-22(17-9-2-3-10-18(17)24)27-21-12-5-4-11-19(21)25-23(27)26-20/h2-14,22H,1H3,(H,25,26).
What are the key properties of 4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole?
4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole has a molecular weight of 371.42 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-(3-methoxyphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 5147781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).