N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide

C19H16N4O3 — CID 3160705

IUPACN-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C19H16N4O3/c1-11(24)12-6-8-13(9-7-12)20-18(26)16-10-17(25)22-19-21-14-4-2-3-5-15(14)23(16)19/h2-9,16H,10H2,1H3,(H,20,26)(H,21,22,25)
InChIKeyAXWYLFOSJCFRFC-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.76
Rot. Bonds3

About N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide

N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 3160705) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
PubChem CID3160705
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc4ccccc4n32)cc1
InChIInChI=1S/C19H16N4O3/c1-11(24)12-6-8-13(9-7-12)20-18(26)16-10-17(25)22-19-21-14-4-2-3-5-15(14)23(16)19/h2-9,16H,10H2,1H3,(H,20,26)(H,21,22,25)
InChIKeyAXWYLFOSJCFRFC-UHFFFAOYSA-N
XLogP2.76
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide (CID 3160705) is N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc4ccccc4n32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is AXWYLFOSJCFRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-11(24)12-6-8-13(9-7-12)20-18(26)16-10-17(25)22-19-21-14-4-2-3-5-15(14)23(16)19/h2-9,16H,10H2,1H3,(H,20,26)(H,21,22,25).
What are the key properties of N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide?
N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 3160705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).