3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one

C24H21N3O — CID 17035823

IUPAC3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c(C)n(Cc2cccc3ccccc23)c2nc3ccccc3n2c1=O
InChIInChI=1S/C24H21N3O/c1-3-19-16(2)26(15-18-11-8-10-17-9-4-5-12-20(17)18)24-25-21-13-6-7-14-22(21)27(24)23(19)28/h4-14H,3,15H2,1-2H3
InChIKeyCFZYAUYJGHBELY-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.72
Rot. Bonds3

About 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one

3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 17035823) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one
PubChem CID17035823
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c(C)n(Cc2cccc3ccccc23)c2nc3ccccc3n2c1=O
InChIInChI=1S/C24H21N3O/c1-3-19-16(2)26(15-18-11-8-10-17-9-4-5-12-20(17)18)24-25-21-13-6-7-14-22(21)27(24)23(19)28/h4-14H,3,15H2,1-2H3
InChIKeyCFZYAUYJGHBELY-UHFFFAOYSA-N
XLogP4.72
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one (CID 17035823) is 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one is CCc1c(C)n(Cc2cccc3ccccc23)c2nc3ccccc3n2c1=O.
What is the InChIKey of 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is CFZYAUYJGHBELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-3-19-16(2)26(15-18-11-8-10-17-9-4-5-12-20(17)18)24-25-21-13-6-7-14-22(21)27(24)23(19)28/h4-14H,3,15H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one?
3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 367.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 17035823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).