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

C25H19ClN4O2 — CID 45031752

IUPAC2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C25H19ClN4O2/c1-16-7-2-3-10-19(16)27-23(31)15-29-21-11-4-5-12-22(21)30-24(32)14-20(28-25(29)30)17-8-6-9-18(26)13-17/h2-14H,15H2,1H3,(H,27,31)
InChIKeyNZLNDQGVWSOTDV-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.92
Rot. Bonds4

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

2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide (PubChem CID 45031752) has the molecular formula C25H19ClN4O2 and a molecular weight of 442.91 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide
PubChem CID45031752
Molecular FormulaC25H19ClN4O2
Molecular Weight442.91 g/mol
Exact Mass442.12
IUPAC Name2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3cccc(Cl)c3)nc12
InChIInChI=1S/C25H19ClN4O2/c1-16-7-2-3-10-19(16)27-23(31)15-29-21-11-4-5-12-22(21)30-24(32)14-20(28-25(29)30)17-8-6-9-18(26)13-17/h2-14H,15H2,1H3,(H,27,31)
InChIKeyNZLNDQGVWSOTDV-UHFFFAOYSA-N
XLogP4.92
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 45031617
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
CID 45031658
N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031629
ethyl 2-[[2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetyl]amino]benzoate
CID 45031679
N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031465
N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031670
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031456
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 114584365
2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-naphthalen-1-ylacetamide
CID 7747904
2-[6-bromo-3-(3-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 17190284
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767924
N-(2-bromophenyl)-2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224565

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide (CID 45031752) is 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3cccc(Cl)c3)nc12.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is NZLNDQGVWSOTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2/c1-16-7-2-3-10-19(16)27-23(31)15-29-21-11-4-5-12-22(21)30-24(32)14-20(28-25(29)30)17-8-6-9-18(26)13-17/h2-14H,15H2,1H3,(H,27,31).
What are the key properties of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide?
2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 442.91 g/mol, XLogP of 4.92, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 45031752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).