1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C19H17N3O — CID 11460869

IUPAC1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccccc2)nc2n1CCN2Cc1ccccc1
InChIInChI=1S/C19H17N3O/c23-18-13-17(16-9-5-2-6-10-16)20-19-21(11-12-22(18)19)14-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2
InChIKeyPOYMHOMQISCZKL-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.93
Rot. Bonds3

About 1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 11460869) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID11460869
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccccc2)nc2n1CCN2Cc1ccccc1
InChIInChI=1S/C19H17N3O/c23-18-13-17(16-9-5-2-6-10-16)20-19-21(11-12-22(18)19)14-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2
InChIKeyPOYMHOMQISCZKL-UHFFFAOYSA-N
XLogP2.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Onc-206
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Onc212
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2-Phenylpyrimido(2,1-a)isoindol-4(6H)-one
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7-Benzyl-10-(2-methylbenzyl)-2,3,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(10H)-one
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11-Benzyl-5-[(2,4-difluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161665
11-Benzyl-5-[(3-fluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
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11-Benzyl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161673
11-Benzyl-5-[(4-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161681
11-Benzyl-5-[(4-fluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161682
11-Benzyl-5-[(2-fluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161702

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 11460869) is 1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is O=c1cc(-c2ccccc2)nc2n1CCN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is POYMHOMQISCZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-18-13-17(16-9-5-2-6-10-16)20-19-21(11-12-22(18)19)14-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2.
What are the key properties of 1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 303.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 11460869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).