2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one

C25H21N3O2 — CID 17190476

IUPAC2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one
SMILESCOc1cccc(-c2cc(=O)n3c4ccccc4nc3n2CCc2ccccc2)c1
InChIInChI=1S/C25H21N3O2/c1-30-20-11-7-10-19(16-20)23-17-24(29)28-22-13-6-5-12-21(22)26-25(28)27(23)15-14-18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3
InChIKeyXXWYFQMICSMDRA-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.57
Rot. Bonds5

About 2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one

2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 17190476) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one
PubChem CID17190476
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one
SMILESCOc1cccc(-c2cc(=O)n3c4ccccc4nc3n2CCc2ccccc2)c1
InChIInChI=1S/C25H21N3O2/c1-30-20-11-7-10-19(16-20)23-17-24(29)28-22-13-6-5-12-21(22)26-25(28)27(23)15-14-18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3
InChIKeyXXWYFQMICSMDRA-UHFFFAOYSA-N
XLogP4.57
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one 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

1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3827290
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-3,6-dimethoxycarbazole
CID 146522505
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003932
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797015
N'-[1-(3-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]ethane-1,2-diamine
CID 67545571
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate
CID 17228782
N-hydroxy-3-[3-[1-[2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]phenyl]prop-2-enamide
CID 87855611

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one (CID 17190476) is 2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one is COc1cccc(-c2cc(=O)n3c4ccccc4nc3n2CCc2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is XXWYFQMICSMDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-30-20-11-7-10-19(16-20)23-17-24(29)28-22-13-6-5-12-21(22)26-25(28)27(23)15-14-18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one?
2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 395.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 17190476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).