(4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide

C25H22N4O3 — CID 41032248

IUPAC(4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1
InChIInChI=1S/C25H22N4O3/c1-32-19-13-11-18(12-14-19)26-24(31)22-15-23(30)28(16-17-7-3-2-4-8-17)25-27-20-9-5-6-10-21(20)29(22)25/h2-14,22H,15-16H2,1H3,(H,26,31)/t22-/m0/s1
InChIKeyWBEHWWATEIXFQR-QFIPXVFZSA-N
MW426.48 g/mol
LogP4.16
Rot. Bonds5

About (4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide

(4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 41032248) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is (4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name(4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide
PubChem CID41032248
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name(4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1
InChIInChI=1S/C25H22N4O3/c1-32-19-13-11-18(12-14-19)26-24(31)22-15-23(30)28(16-17-7-3-2-4-8-17)25-27-20-9-5-6-10-21(20)29(22)25/h2-14,22H,15-16H2,1H3,(H,26,31)/t22-/m0/s1
InChIKeyWBEHWWATEIXFQR-QFIPXVFZSA-N
XLogP4.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of (4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide (CID 41032248) is (4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for (4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for (4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide is COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)c3nc4ccccc4n32)cc1.
What is the InChIKey of (4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is WBEHWWATEIXFQR-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-32-19-13-11-18(12-14-19)26-24(31)22-15-23(30)28(16-17-7-3-2-4-8-17)25-27-20-9-5-6-10-21(20)29(22)25/h2-14,22H,15-16H2,1H3,(H,26,31)/t22-/m0/s1.
What are the key properties of (4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide?
(4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-N-(4-methoxyphenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 41032248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).