10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one

C23H16FN3O — CID 45031583

IUPAC10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(-c2ccccc2)nc2n(Cc3cccc(F)c3)c3ccccc3n12
InChIInChI=1S/C23H16FN3O/c24-18-10-6-7-16(13-18)15-26-20-11-4-5-12-21(20)27-22(28)14-19(25-23(26)27)17-8-2-1-3-9-17/h1-14H,15H2
InChIKeyFPRCRBPVCCBCOR-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.50
Rot. Bonds3

About 10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one

10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one (PubChem CID 45031583) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is 10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one
PubChem CID45031583
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(-c2ccccc2)nc2n(Cc3cccc(F)c3)c3ccccc3n12
InChIInChI=1S/C23H16FN3O/c24-18-10-6-7-16(13-18)15-26-20-11-4-5-12-21(20)27-22(28)14-19(25-23(26)27)17-8-2-1-3-9-17/h1-14H,15H2
InChIKeyFPRCRBPVCCBCOR-UHFFFAOYSA-N
XLogP4.50
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide
CID 53376045
9-benzyl-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
CID 752578
1,3-Bis-(2-fluoro-benzyl)-1,3-dihydro-benzoimidazol-2-one
CID 1077054
10-(4-Fluorobenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole hydrochloride
CID 2899152
1-[(2-Fluorophenyl)methyl]-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide
CID 15945565
3,10-Dibenzyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 44421628
11-Benzyl-5-phenyl-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161696
10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 883012
9-(4-fluorobenzyl)-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 882437
2-[2-(4-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]-N-(2,4-difluorophenyl)acetamide
CID 50821545
4-[[4-(4-Fluorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 118710313
9-(4-methylbenzyl)-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
CID 1620818

Frequently Asked Questions

What is the IUPAC name of 10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one (CID 45031583) is 10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one is O=c1cc(-c2ccccc2)nc2n(Cc3cccc(F)c3)c3ccccc3n12.
What is the InChIKey of 10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is FPRCRBPVCCBCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c24-18-10-6-7-16(13-18)15-26-20-11-4-5-12-21(20)27-22(28)14-19(25-23(26)27)17-8-2-1-3-9-17/h1-14H,15H2.
What are the key properties of 10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one?
10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 369.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 45031583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).