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

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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).