2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one

C22H22N4O3 — CID 4901820

IUPAC2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1c(-c2ccccc2)c(O)n(CCN2CCOCC2)c2nc3ccccc3n12
InChIInChI=1S/C22H22N4O3/c27-20-19(16-6-2-1-3-7-16)21(28)26-18-9-5-4-8-17(18)23-22(26)25(20)11-10-24-12-14-29-15-13-24/h1-9,27H,10-15H2
InChIKeyVLZUXXOVSAAPBO-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.35
Rot. Bonds4

About 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one

2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one (PubChem CID 4901820) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one
PubChem CID4901820
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one
SMILESO=c1c(-c2ccccc2)c(O)n(CCN2CCOCC2)c2nc3ccccc3n12
InChIInChI=1S/C22H22N4O3/c27-20-19(16-6-2-1-3-7-16)21(28)26-18-9-5-4-8-17(18)23-22(26)25(20)11-10-24-12-14-29-15-13-24/h1-9,27H,10-15H2
InChIKeyVLZUXXOVSAAPBO-UHFFFAOYSA-N
XLogP2.35
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[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

2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
CID 4909290
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
CID 2851496
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;hydrochloride
CID 146051190
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
4-[2-([1,2,4]triazolo[1,5-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
CID 126467944
1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
CID 3703601
1-morpholin-4-yl-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000579
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
3-[3-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-2-yl]phenol
CID 5116850
4-[2-(1-benzylbenzimidazol-2-yl)sulfanylethyl]morpholine;hydrobromide
CID 2947873
2-(2,2-diphenylethenyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 10454082

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one (CID 4901820) is 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one is O=c1c(-c2ccccc2)c(O)n(CCN2CCOCC2)c2nc3ccccc3n12.
What is the InChIKey of 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is VLZUXXOVSAAPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-20-19(16-6-2-1-3-7-16)21(28)26-18-9-5-4-8-17(18)23-22(26)25(20)11-10-24-12-14-29-15-13-24/h1-9,27H,10-15H2.
What are the key properties of 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one?
2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 390.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 4901820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).