2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one

C16H11N3O — CID 930735

IUPAC2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc3ccccc3n12
InChIInChI=1S/C16H11N3O/c20-15-10-13(11-6-2-1-3-7-11)18-16-17-12-8-4-5-9-14(12)19(15)16/h1-10H,(H,17,18)
InChIKeyBBERZJLEIXBTKK-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.84
Rot. Bonds1

About 2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one

2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 930735) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one
PubChem CID930735
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc3ccccc3n12
InChIInChI=1S/C16H11N3O/c20-15-10-13(11-6-2-1-3-7-11)18-16-17-12-8-4-5-9-14(12)19(15)16/h1-10H,(H,17,18)
InChIKeyBBERZJLEIXBTKK-UHFFFAOYSA-N
XLogP2.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-1H-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

CID 65906
CID 65906
CID 65997
CID 65997
CID 12855
CID 12855
CID 3019305
CID 3019305
CID 37750349
CID 37750349
CID 1221687
CID 1221687
CID 5708003
CID 5708003
CID 135402853
CID 135402853
CID 703106
CID 703106
CID 739312
CID 739312
CID 780674
CID 780674
CID 872071
CID 872071

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one (CID 930735) is 2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one is O=c1cc(-c2ccccc2)[nH]c2nc3ccccc3n12.
What is the InChIKey of 2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is BBERZJLEIXBTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-15-10-13(11-6-2-1-3-7-11)18-16-17-12-8-4-5-9-14(12)19(15)16/h1-10H,(H,17,18).
What are the key properties of 2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 261.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 930735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).