N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide

C23H24N4O2 — CID 17035867

IUPACN-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide
SMILESCCc1c(C)n(CC(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3n2c1=O
InChIInChI=1S/C23H24N4O2/c1-5-18-16(4)26(13-21(28)24-17-11-10-14(2)15(3)12-17)23-25-19-8-6-7-9-20(19)27(23)22(18)29/h6-12H,5,13H2,1-4H3,(H,24,28)
InChIKeyPUHAWCQQLLEKQZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.78
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide

N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide (PubChem CID 17035867) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide
PubChem CID17035867
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide
SMILESCCc1c(C)n(CC(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3n2c1=O
InChIInChI=1S/C23H24N4O2/c1-5-18-16(4)26(13-21(28)24-17-11-10-14(2)15(3)12-17)23-25-19-8-6-7-9-20(19)27(23)22(18)29/h6-12H,5,13H2,1-4H3,(H,24,28)
InChIKeyPUHAWCQQLLEKQZ-UHFFFAOYSA-N
XLogP3.78
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)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-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid
CID 17035842
3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one
CID 17035845
3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
CID 17035851
N-(3,4-dimethylphenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061560
N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031629
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029087
N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one
CID 17035823
N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 22424827
N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522524
2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46347596

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide (CID 17035867) is N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide is CCc1c(C)n(CC(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3n2c1=O.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide?
The InChIKey is PUHAWCQQLLEKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-5-18-16(4)26(13-21(28)24-17-11-10-14(2)15(3)12-17)23-25-19-8-6-7-9-20(19)27(23)22(18)29/h6-12H,5,13H2,1-4H3,(H,24,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide is sourced from PubChem (CID 17035867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).