2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C19H16BrF3N6O — CID 168841703

IUPAC2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(Cn2c(=O)c(C)cn3nc(Br)nc23)cc1
InChIInChI=1S/C19H16BrF3N6O/c1-3-27-10-14(19(21,22)23)24-15(27)13-6-4-12(5-7-13)9-28-16(30)11(2)8-29-18(28)25-17(20)26-29/h4-8,10H,3,9H2,1-2H3
InChIKeyWMUPIVDUIXVNOW-UHFFFAOYSA-N
MW481.28 g/mol
LogP3.91
Rot. Bonds4

About 2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 168841703) has the molecular formula C19H16BrF3N6O and a molecular weight of 481.28 g/mol. Its IUPAC name is 2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID168841703
Molecular FormulaC19H16BrF3N6O
Molecular Weight481.28 g/mol
Exact Mass480.05
IUPAC Name2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(Cn2c(=O)c(C)cn3nc(Br)nc23)cc1
InChIInChI=1S/C19H16BrF3N6O/c1-3-27-10-14(19(21,22)23)24-15(27)13-6-4-12(5-7-13)9-28-16(30)11(2)8-29-18(28)25-17(20)26-29/h4-8,10H,3,9H2,1-2H3
InChIKeyWMUPIVDUIXVNOW-UHFFFAOYSA-N
XLogP3.91
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-bromophenyl)-1-propyl-4-(trifluoromethyl)imidazole
CID 162440281
2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172585614
(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanamine
CID 165135333
1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone
CID 162378667
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 170707566
2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378754
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-3-[[4-[1-(1-methylazetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-one
CID 172585586
6-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 170707664
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172586381
4-[1-[(2-methylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
CID 59532168
6-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pteridin-7-one
CID 170707343
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841744

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 168841703) is 2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCn1cc(C(F)(F)F)nc1-c1ccc(Cn2c(=O)c(C)cn3nc(Br)nc23)cc1.
What is the InChIKey of 2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is WMUPIVDUIXVNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N6O/c1-3-27-10-14(19(21,22)23)24-15(27)13-6-4-12(5-7-13)9-28-16(30)11(2)8-29-18(28)25-17(20)26-29/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 481.28 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 168841703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).