2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one

C12H7I2N3O — CID 136817201

IUPAC2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1[nH]cc(-c2ccccc2)c2nc(I)c(I)n12
InChIInChI=1S/C12H7I2N3O/c13-9-10(14)17-11(16-9)8(6-15-12(17)18)7-4-2-1-3-5-7/h1-6H,(H,15,18)
InChIKeyLZFOGMDGDUQASE-UHFFFAOYSA-N
MW463.02 g/mol
LogP2.90
Rot. Bonds1

About 2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one

2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 136817201) has the molecular formula C12H7I2N3O and a molecular weight of 463.02 g/mol. Its IUPAC name is 2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID136817201
Molecular FormulaC12H7I2N3O
Molecular Weight463.02 g/mol
Exact Mass462.87
IUPAC Name2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1[nH]cc(-c2ccccc2)c2nc(I)c(I)n12
InChIInChI=1S/C12H7I2N3O/c13-9-10(14)17-11(16-9)8(6-15-12(17)18)7-4-2-1-3-5-7/h1-6H,(H,15,18)
InChIKeyLZFOGMDGDUQASE-UHFFFAOYSA-N
XLogP2.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.02
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-phenyl-1H-pyrimidine-2,4-dione
CID 4204619
8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one
CID 135545328
8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
CID 136815157
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1H-quinolin-4-one
CID 142621956
2,3,4-triphenyl-1H-pyrrole;hydrochloride
CID 172844821
methane;3-phenyl-1H-indole
CID 167711687
5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10514153
2H-imidazo[1,5-a]quinolin-1-one
CID 12536652
6-fluoro-2-iodo-3-phenylpyridine
CID 130785698
6-bromo-4-phenyl-2H-isoquinolin-1-one
CID 155046719
3-phenyl-1H-pyrrolo[3,4-g]indol-8-one
CID 133084135
7-(4-iodophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135419385

Frequently Asked Questions

What is the IUPAC name of 2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one (CID 136817201) is 2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one is O=c1[nH]cc(-c2ccccc2)c2nc(I)c(I)n12.
What is the InChIKey of 2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is LZFOGMDGDUQASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7I2N3O/c13-9-10(14)17-11(16-9)8(6-15-12(17)18)7-4-2-1-3-5-7/h1-6H,(H,15,18).
What are the key properties of 2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one?
2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 463.02 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 136817201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).