N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide

C24H19N5O2S — CID 45031465

IUPACN-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
SMILESCSc1cccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4ccncc4)nc23)c1
InChIInChI=1S/C24H19N5O2S/c1-32-18-6-4-5-17(13-18)26-22(30)15-28-20-7-2-3-8-21(20)29-23(31)14-19(27-24(28)29)16-9-11-25-12-10-16/h2-14H,15H2,1H3,(H,26,30)
InChIKeyCWOXQXJEJSVJBJ-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.07
Rot. Bonds5

About N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide

N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide (PubChem CID 45031465) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
PubChem CID45031465
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC NameN-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
SMILESCSc1cccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4ccncc4)nc23)c1
InChIInChI=1S/C24H19N5O2S/c1-32-18-6-4-5-17(13-18)26-22(30)15-28-20-7-2-3-8-21(20)29-23(31)14-19(27-24(28)29)16-9-11-25-12-10-16/h2-14H,15H2,1H3,(H,26,30)
InChIKeyCWOXQXJEJSVJBJ-UHFFFAOYSA-N
XLogP4.07
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-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

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
N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031629
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
CID 45031658
2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide
CID 45031752
ethyl 2-[[2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetyl]amino]benzoate
CID 45031679
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 17028829
2-(5-chloro-4-methyl-6-oxo-2-phenylpyrimidin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 71802634
2-[4-(3-methylpiperidin-1-yl)-2-oxoquinazolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 50834473
N-(3-methylsulfanylphenyl)-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 52901306
N-methyl-3-[4-[2-(3-methylsulfanylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]propanamide
CID 53129349
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide (CID 45031465) is N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide is CSc1cccc(NC(=O)Cn2c3ccccc3n3c(=O)cc(-c4ccncc4)nc23)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The InChIKey is CWOXQXJEJSVJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c1-32-18-6-4-5-17(13-18)26-22(30)15-28-20-7-2-3-8-21(20)29-23(31)14-19(27-24(28)29)16-9-11-25-12-10-16/h2-14H,15H2,1H3,(H,26,30).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide has a molecular weight of 441.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide is sourced from PubChem (CID 45031465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).