2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one

C13H8BrN3O2 — CID 155369192

IUPAC2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=C(c1ccccc1)c1cn2c(=O)[nH]cc(Br)c2n1
InChIInChI=1S/C13H8BrN3O2/c14-9-6-15-13(19)17-7-10(16-12(9)17)11(18)8-4-2-1-3-5-8/h1-7H,(H,15,19)
InChIKeyBITDPUUKYCLNHM-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.02
Rot. Bonds2

About 2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one

2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 155369192) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID155369192
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=C(c1ccccc1)c1cn2c(=O)[nH]cc(Br)c2n1
InChIInChI=1S/C13H8BrN3O2/c14-9-6-15-13(19)17-7-10(16-12(9)17)11(18)8-4-2-1-3-5-8/h1-7H,(H,15,19)
InChIKeyBITDPUUKYCLNHM-UHFFFAOYSA-N
XLogP2.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1H-imidazol-4-yl)(phenyl)methanone
CID 556113
(1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 914663
6-(2-Phenylethylamino)-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),6,8-tetraen-5-one
CID 17758419
1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide
CID 134316142
[4-(2-Amino-ethyl)-imidazol-1-yl]-phenyl-methanone
CID 44373736
7-{3-[(4-Fluorobenzoyl)amino]propanoyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide
CID 56703966
7-(2-fluorobenzoyl)-N-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 134789112
7-(2-fluorobenzoyl)-N-prop-2-enyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 134790540
5-Amino-1-methyl-3-phenacylimidazol-1-ium-4-carboxamide bromide
CID 369520
(2-Fluorophenyl)-(3-methylimidazol-4-yl)methanone
CID 805401
N-(7-(2-Aminoethyl)-6-hydroxy-7H-purin-2-yl)benzamide
CID 135503479
5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one
CID 135566514

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one (CID 155369192) is 2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one is O=C(c1ccccc1)c1cn2c(=O)[nH]cc(Br)c2n1.
What is the InChIKey of 2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is BITDPUUKYCLNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-9-6-15-13(19)17-7-10(16-12(9)17)11(18)8-4-2-1-3-5-8/h1-7H,(H,15,19).
What are the key properties of 2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one?
2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 318.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 155369192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).