1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one

C15H12F3N3O — CID 102104201

IUPAC1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(C(F)(F)F)nc2n1Cc1ccccc1
InChIInChI=1S/C15H12F3N3O/c1-10-8-21-13(22)7-12(15(16,17)18)19-14(21)20(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyIFZNYSQDTNAODU-UHFFFAOYSA-N
MW307.28 g/mol
LogP2.87
Rot. Bonds2

About 1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one

1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 102104201) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
PubChem CID102104201
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(C(F)(F)F)nc2n1Cc1ccccc1
InChIInChI=1S/C15H12F3N3O/c1-10-8-21-13(22)7-12(15(16,17)18)19-14(21)20(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyIFZNYSQDTNAODU-UHFFFAOYSA-N
XLogP2.87
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-phenacyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
CID 144837802
2-methyl-1-prop-2-enyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
CID 144837780
1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 102596732
2-(4-chlorophenyl)-8-[(3-fluorophenyl)methyl]-7-methylimidazo[1,2-a]pyrimidin-5-one
CID 118631230
1-benzyl-2-methyl-4-(trifluoromethyl)imidazole
CID 101096639
7-chloro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401967
4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 24765332
1-benzyl-4-methoxy-6-methyl-3-(trifluoromethyl)pyridin-2-one
CID 122401259
2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 69324468
1-benzyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2423874
6-benzyl-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione
CID 16615195
2-benzyl-6-(2-chloroethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16610251

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one (CID 102104201) is 1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(C(F)(F)F)nc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is IFZNYSQDTNAODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-10-8-21-13(22)7-12(15(16,17)18)19-14(21)20(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 307.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 102104201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).