3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one

C22H21N3O3 — CID 17035851

IUPAC3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c(C)n(CC(=O)c2ccc(OC)cc2)c2nc3ccccc3n2c1=O
InChIInChI=1S/C22H21N3O3/c1-4-17-14(2)24(13-20(26)15-9-11-16(28-3)12-10-15)22-23-18-7-5-6-8-19(18)25(22)21(17)27/h5-12H,4,13H2,1-3H3
InChIKeyCEPWVDVEYPDZGS-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.41
Rot. Bonds5

About 3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one

3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one (PubChem CID 17035851) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
PubChem CID17035851
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c(C)n(CC(=O)c2ccc(OC)cc2)c2nc3ccccc3n2c1=O
InChIInChI=1S/C22H21N3O3/c1-4-17-14(2)24(13-20(26)15-9-11-16(28-3)12-10-15)22-23-18-7-5-6-8-19(18)25(22)21(17)27/h5-12H,4,13H2,1-3H3
InChIKeyCEPWVDVEYPDZGS-UHFFFAOYSA-N
XLogP3.41
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one (CID 17035851) is 3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one is CCc1c(C)n(CC(=O)c2ccc(OC)cc2)c2nc3ccccc3n2c1=O.
What is the InChIKey of 3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is CEPWVDVEYPDZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-4-17-14(2)24(13-20(26)15-9-11-16(28-3)12-10-15)22-23-18-7-5-6-8-19(18)25(22)21(17)27/h5-12H,4,13H2,1-3H3.
What are the key properties of 3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one?
3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 375.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 17035851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).