2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide

C24H16ClFN4O2 — CID 53035352

IUPAC2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1c2ccccc2n2c(=O)cc(-c3cccc(Cl)c3)nc12)Nc1ccc(F)cc1
InChIInChI=1S/C24H16ClFN4O2/c25-16-5-3-4-15(12-16)19-13-23(32)30-21-7-2-1-6-20(21)29(24(30)28-19)14-22(31)27-18-10-8-17(26)9-11-18/h1-13H,14H2,(H,27,31)
InChIKeyMWQZVRKWSNTEKG-UHFFFAOYSA-N
MW446.87 g/mol
LogP4.75
Rot. Bonds4

About 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide

2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 53035352) has the molecular formula C24H16ClFN4O2 and a molecular weight of 446.87 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide
PubChem CID53035352
Molecular FormulaC24H16ClFN4O2
Molecular Weight446.87 g/mol
Exact Mass446.09
IUPAC Name2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1c2ccccc2n2c(=O)cc(-c3cccc(Cl)c3)nc12)Nc1ccc(F)cc1
InChIInChI=1S/C24H16ClFN4O2/c25-16-5-3-4-15(12-16)19-13-23(32)30-21-7-2-1-6-20(21)29(24(30)28-19)14-22(31)27-18-10-8-17(26)9-11-18/h1-13H,14H2,(H,27,31)
InChIKeyMWQZVRKWSNTEKG-UHFFFAOYSA-N
XLogP4.75
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide (CID 53035352) is 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide is O=C(Cn1c2ccccc2n2c(=O)cc(-c3cccc(Cl)c3)nc12)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is MWQZVRKWSNTEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O2/c25-16-5-3-4-15(12-16)19-13-23(32)30-21-7-2-1-6-20(21)29(24(30)28-19)14-22(31)27-18-10-8-17(26)9-11-18/h1-13H,14H2,(H,27,31).
What are the key properties of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 446.87 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53035352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).