2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one

C26H30N4O3 — CID 4909290

IUPAC2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
SMILESCC(C)c1ccc(Cc2c(O)n(CCN3CCOCC3)c3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C26H30N4O3/c1-18(2)20-9-7-19(8-10-20)17-21-24(31)29(12-11-28-13-15-33-16-14-28)26-27-22-5-3-4-6-23(22)30(26)25(21)32/h3-10,18,31H,11-17H2,1-2H3
InChIKeyMARVUYYEALDOCL-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.40
Rot. Bonds6

About 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one

2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 4909290) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
PubChem CID4909290
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
SMILESCC(C)c1ccc(Cc2c(O)n(CCN3CCOCC3)c3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C26H30N4O3/c1-18(2)20-9-7-19(8-10-20)17-21-24(31)29(12-11-28-13-15-33-16-14-28)26-27-22-5-3-4-6-23(22)30(26)25(21)32/h3-10,18,31H,11-17H2,1-2H3
InChIKeyMARVUYYEALDOCL-UHFFFAOYSA-N
XLogP3.40
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-1-(2-morpholin-4-ylethyl)-3-phenylpyrimido[1,2-a]benzimidazol-4-one
CID 4901820
3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 91951503
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
1-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)quinazoline-2,4-dione
CID 46223528
2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
CID 39734554
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;hydrochloride
CID 146051190
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
CID 2851496
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
(4-chlorophenyl)-[2-methyl-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]methanone;dihydrochloride
CID 19040811
4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine
CID 164835741

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one (CID 4909290) is 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one is CC(C)c1ccc(Cc2c(O)n(CCN3CCOCC3)c3nc4ccccc4n3c2=O)cc1.
What is the InChIKey of 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is MARVUYYEALDOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-18(2)20-9-7-19(8-10-20)17-21-24(31)29(12-11-28-13-15-33-16-14-28)26-27-22-5-3-4-6-23(22)30(26)25(21)32/h3-10,18,31H,11-17H2,1-2H3.
What are the key properties of 2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one?
2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 446.55 g/mol, XLogP of 3.40, 6 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-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 4909290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).