6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one

C12H8ClN3O2 — CID 86213682

IUPAC6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
SMILESO=c1[nH]c2nccn2c(O)c1-c1ccccc1Cl
InChIInChI=1S/C12H8ClN3O2/c13-8-4-2-1-3-7(8)9-10(17)15-12-14-5-6-16(12)11(9)18/h1-6,18H,(H,14,15,17)
InChIKeyNEHMYANRPJPIJA-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.05
Rot. Bonds1

About 6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one

6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one (PubChem CID 86213682) has the molecular formula C12H8ClN3O2 and a molecular weight of 261.67 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
PubChem CID86213682
Molecular FormulaC12H8ClN3O2
Molecular Weight261.67 g/mol
Exact Mass261.03
IUPAC Name6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
SMILESO=c1[nH]c2nccn2c(O)c1-c1ccccc1Cl
InChIInChI=1S/C12H8ClN3O2/c13-8-4-2-1-3-7(8)9-10(17)15-12-14-5-6-16(12)11(9)18/h1-6,18H,(H,14,15,17)
InChIKeyNEHMYANRPJPIJA-UHFFFAOYSA-N
XLogP2.05
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
CID 68751690
6-(2-chloro-6-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
CID 23018326
7-chloro-3-(2-chlorophenyl)-4-hydroxy-1H-1,5-naphthyridin-2-one
CID 54730151
5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione
CID 115946168
3-(2-chlorophenyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54719903
2-tert-butyl-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439029
5-(2-chlorophenyl)-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
CID 68964475
2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 80663741
2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438945
5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 79439201
5-(2-chlorophenyl)-4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 79439497
6-(2-chlorophenyl)-1H-pyrimidin-2-one
CID 13362226

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one (CID 86213682) is 6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one is O=c1[nH]c2nccn2c(O)c1-c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one?
The InChIKey is NEHMYANRPJPIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2/c13-8-4-2-1-3-7(8)9-10(17)15-12-14-5-6-16(12)11(9)18/h1-6,18H,(H,14,15,17).
What are the key properties of 6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one?
6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one has a molecular weight of 261.67 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 86213682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).