2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one

C23H15ClFN3O — CID 45031595

IUPAC2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc2n(Cc3ccc(F)cc3)c3ccccc3n12
InChIInChI=1S/C23H15ClFN3O/c24-17-9-7-16(8-10-17)19-13-22(29)28-21-4-2-1-3-20(21)27(23(28)26-19)14-15-5-11-18(25)12-6-15/h1-13H,14H2
InChIKeyMKUHBEODVAUVJS-UHFFFAOYSA-N
MW403.84 g/mol
LogP5.16
Rot. Bonds3

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

2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 45031595) has the molecular formula C23H15ClFN3O and a molecular weight of 403.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
PubChem CID45031595
Molecular FormulaC23H15ClFN3O
Molecular Weight403.84 g/mol
Exact Mass403.09
IUPAC Name2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)nc2n(Cc3ccc(F)cc3)c3ccccc3n12
InChIInChI=1S/C23H15ClFN3O/c24-17-9-7-16(8-10-17)19-13-22(29)28-21-4-2-1-3-20(21)27(23(28)26-19)14-15-5-11-18(25)12-6-15/h1-13H,14H2
InChIKeyMKUHBEODVAUVJS-UHFFFAOYSA-N
XLogP5.16
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.84
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one (CID 45031595) is 2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one is O=c1cc(-c2ccc(Cl)cc2)nc2n(Cc3ccc(F)cc3)c3ccccc3n12.
What is the InChIKey of 2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is MKUHBEODVAUVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3O/c24-17-9-7-16(8-10-17)19-13-22(29)28-21-4-2-1-3-20(21)27(23(28)26-19)14-15-5-11-18(25)12-6-15/h1-13H,14H2.
What are the key properties of 2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 403.84 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-10-[(4-fluorophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 45031595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).