8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one

C13H9ClF3N3O — CID 59940596

IUPAC8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one
SMILESO=C1C=C(C(F)(F)F)N2CCN=C2N1c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClF3N3O/c14-8-1-3-9(4-2-8)20-11(21)7-10(13(15,16)17)19-6-5-18-12(19)20/h1-4,7H,5-6H2
InChIKeyYYTHRXJFPLSQDK-UHFFFAOYSA-N
MW315.68 g/mol
LogP2.80
Rot. Bonds1

About 8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one

8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one (PubChem CID 59940596) has the molecular formula C13H9ClF3N3O and a molecular weight of 315.68 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one
PubChem CID59940596
Molecular FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
Exact Mass315.04
IUPAC Name8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one
SMILESO=C1C=C(C(F)(F)F)N2CCN=C2N1c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClF3N3O/c14-8-1-3-9(4-2-8)20-11(21)7-10(13(15,16)17)19-6-5-18-12(19)20/h1-4,7H,5-6H2
InChIKeyYYTHRXJFPLSQDK-UHFFFAOYSA-N
XLogP2.80
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide
CID 21256382
[2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]sulfanyl-1-ethoxyethylidene]oxidanium
CID 162547773
8-(4-chloro-2,6-difluoro-3-methylphenyl)-5-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one
CID 54573021
1-(4-chlorophenyl)-2-[4-[1-(4-chlorophenyl)-4,5-dihydroimidazol-2-yl]phenyl]-4,5-dihydroimidazole
CID 155551139
10-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one;hydrochloride
CID 3063838
1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 1237916
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4,5-dihydroimidazole
CID 141142984
4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 3560766
(3aS,4R,7S,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 1489201
1-(4-chlorophenyl)-5-sulfanylidenepyrrolidin-2-one
CID 71437683
(1S,2R,6R,7S,8S,9R)-8,9-dibromo-4-(4-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98119772
1-tert-butyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 60837921

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one (CID 59940596) is 8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one is O=C1C=C(C(F)(F)F)N2CCN=C2N1c1ccc(Cl)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one?
The InChIKey is YYTHRXJFPLSQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O/c14-8-1-3-9(4-2-8)20-11(21)7-10(13(15,16)17)19-6-5-18-12(19)20/h1-4,7H,5-6H2.
What are the key properties of 8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one?
8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one has a molecular weight of 315.68 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 59940596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).