2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol

C22H17N3O — CID 660174

IUPAC2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol
SMILESOc1ccccc1C1=Nc2nc3ccccc3n2C(c2ccccc2)C1
InChIInChI=1S/C22H17N3O/c26-21-13-7-4-10-16(21)18-14-20(15-8-2-1-3-9-15)25-19-12-6-5-11-17(19)23-22(25)24-18/h1-13,20,26H,14H2
InChIKeyANQWQLGUIIXYDF-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.86
Rot. Bonds2

About 2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol

2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol (PubChem CID 660174) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol
PubChem CID660174
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol
SMILESOc1ccccc1C1=Nc2nc3ccccc3n2C(c2ccccc2)C1
InChIInChI=1S/C22H17N3O/c26-21-13-7-4-10-16(21)18-14-20(15-8-2-1-3-9-15)25-19-12-6-5-11-17(19)23-22(25)24-18/h1-13,20,26H,14H2
InChIKeyANQWQLGUIIXYDF-UHFFFAOYSA-N
XLogP4.86
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol 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 2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol?
The IUPAC name of 2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol (CID 660174) is 2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol.
What is the SMILES notation for 2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol?
The canonical SMILES for 2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol is Oc1ccccc1C1=Nc2nc3ccccc3n2C(c2ccccc2)C1.
What is the InChIKey of 2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol?
The InChIKey is ANQWQLGUIIXYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-21-13-7-4-10-16(21)18-14-20(15-8-2-1-3-9-15)25-19-12-6-5-11-17(19)23-22(25)24-18/h1-13,20,26H,14H2.
What are the key properties of 2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol?
2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol has a molecular weight of 339.40 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl)phenol is sourced from PubChem (CID 660174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).