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

C26H21ClN4O4 — CID 45031617

IUPAC2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4cccc(Cl)c4)nc23)c(OC)c1
InChIInChI=1S/C26H21ClN4O4/c1-34-18-10-11-19(23(13-18)35-2)28-24(32)15-30-21-8-3-4-9-22(21)31-25(33)14-20(29-26(30)31)16-6-5-7-17(27)12-16/h3-14H,15H2,1-2H3,(H,28,32)
InChIKeyGXJFPLCRBMWMCS-UHFFFAOYSA-N
MW488.93 g/mol
LogP4.63
Rot. Bonds6

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

2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 45031617) has the molecular formula C26H21ClN4O4 and a molecular weight of 488.93 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID45031617
Molecular FormulaC26H21ClN4O4
Molecular Weight488.93 g/mol
Exact Mass488.13
IUPAC Name2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4cccc(Cl)c4)nc23)c(OC)c1
InChIInChI=1S/C26H21ClN4O4/c1-34-18-10-11-19(23(13-18)35-2)28-24(32)15-30-21-8-3-4-9-22(21)31-25(33)14-20(29-26(30)31)16-6-5-7-17(27)12-16/h3-14H,15H2,1-2H3,(H,28,32)
InChIKeyGXJFPLCRBMWMCS-UHFFFAOYSA-N
XLogP4.63
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.93
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)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-methylphenyl)acetamide
CID 45031752
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 51368933
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031456
N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031629
N-(2,4-dimethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195265
3-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920150
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
CID 45031658
N-(2,4-dimethoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409195
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 7659824
N-(2,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-3-yl)acetamide
CID 53116413
N-(2,4-dimethoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502390
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 51368604

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide (CID 45031617) is 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4cccc(Cl)c4)nc23)c(OC)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is GXJFPLCRBMWMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O4/c1-34-18-10-11-19(23(13-18)35-2)28-24(32)15-30-21-8-3-4-9-22(21)31-25(33)14-20(29-26(30)31)16-6-5-7-17(27)12-16/h3-14H,15H2,1-2H3,(H,28,32).
What are the key properties of 2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide?
2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 488.93 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 45031617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).