1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole

C62H50F18N16 — CID 158677669

IUPAC1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCc1cc(C(F)(F)F)ccc1-n1cccn1.Cc1cc(C(F)(F)F)ccc1-n1ccnc1.Cc1cc(C(F)(F)F)ccc1-n1ccnn1.Cc1cc(C(F)(F)F)ccc1-n1cncn1.Cc1cc(C(F)(F)F)ccc1-n1cnnc1.Cc1cc(C(F)(F)F)ccc1-n1nccn1
InChIInChI=1S/2C11H9F3N2.4C10H8F3N3/c1-8-7-9(11(12,13)14)3-4-10(8)16-6-2-5-15-16;1-8-6-9(11(12,13)14)2-3-10(8)16-5-4-15-7-16;1-7-4-8(10(11,12)13)2-3-9(7)16-5-14-15-6-16;1-7-4-8(10(11,12)13)2-3-9(7)16-6-14-5-15-16;1-7-6-8(10(11,12)13)2-3-9(7)16-5-4-14-15-16;1-7-6-8(10(11,12)13)2-3-9(7)16-14-4-5-15-16/h2*2-7H,1H3;4*2-6H,1H3
InChIKeyIESMEWVGTZEZNQ-UHFFFAOYSA-N
MW1361.16 g/mol
LogP16.78
Rot. Bonds6

About 1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole

1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 158677669) has the molecular formula C62H50F18N16 and a molecular weight of 1361.16 g/mol. Its IUPAC name is 1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID158677669
Molecular FormulaC62H50F18N16
Molecular Weight1361.16 g/mol
Exact Mass1360.41
IUPAC Name1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCc1cc(C(F)(F)F)ccc1-n1cccn1.Cc1cc(C(F)(F)F)ccc1-n1ccnc1.Cc1cc(C(F)(F)F)ccc1-n1ccnn1.Cc1cc(C(F)(F)F)ccc1-n1cncn1.Cc1cc(C(F)(F)F)ccc1-n1cnnc1.Cc1cc(C(F)(F)F)ccc1-n1nccn1
InChIInChI=1S/2C11H9F3N2.4C10H8F3N3/c1-8-7-9(11(12,13)14)3-4-10(8)16-6-2-5-15-16;1-8-6-9(11(12,13)14)2-3-10(8)16-5-4-15-7-16;1-7-4-8(10(11,12)13)2-3-9(7)16-5-14-15-6-16;1-7-4-8(10(11,12)13)2-3-9(7)16-6-14-5-15-16;1-7-6-8(10(11,12)13)2-3-9(7)16-5-4-14-15-16;1-7-6-8(10(11,12)13)2-3-9(7)16-14-4-5-15-16/h2*2-7H,1H3;4*2-6H,1H3
InChIKeyIESMEWVGTZEZNQ-UHFFFAOYSA-N
XLogP16.78
TPSA158.48 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001361.16
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 16677839
6-[3-(2,6-Difluorophenyl)-1-tritylpyrazol-4-yl]-4-(1-methylimidazol-4-yl)quinazoline
CID 23537588
6-[3-(2,6-Difluorophenyl)-1-tritylpyrazol-4-yl]-4-(4-methylimidazol-1-yl)quinazoline
CID 23537591
1,2-Bis[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-1,2-bis[8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
CID 87577660
4-(5-Fluoro-2-imidazol-1-ylphenyl)-3-(trifluoromethyl)-1-tritylpyrazole
CID 90992525
1-Methyl-3-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-4-[3-(1-tritylimidazol-4-yl)propyl]-1,2,4-triazol-3-yl]ethyl]indole
CID 142471835
1-Phenyl-2-[3-(1-phenylimidazol-2-yl)-5-[3-(1-phenylimidazol-2-yl)-5-[1-phenyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]phenyl]-4-(trifluoromethyl)imidazole
CID 148780314
2-[3,5-Bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157319134
Ethane;1-fluorobenzimidazole;1-fluorobenzotriazole;1-fluoroimidazole;bis(1-fluoroindole);bis(1-fluoropyrazole);1-fluoropyrrole;1-fluoro-1,2,4-triazole;nonakis(1,3,3,4,4,6,6-heptafluoro-7-methylnonane);methane
CID 157436424
5-Tert-butyl-2-[4,6-difluoro-2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-1-methylpyridin-1-ium;5-tert-butyl-1-methyl-2-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)-5-(trifluoromethyl)phenyl]pyridin-1-ium;5-tert-butyl-1-methyl-2-[2,4,6-trimethyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]pyridin-1-ium;2-[3-(1,3-dimethylimidazol-1-ium-4-yl)-2-methylphenyl]-1-methylpyridin-1-ium
CID 157485320
1-Cyclohexyl-5-methyl-2-phenylimidazole;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;5-(2,6-dimethylphenyl)-1-methyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]imidazole;tetrakis(iridium);1-(4-methylbenzene-6-id-1-yl)-5-phenylpyrazole;2-phenylpyridine
CID 157540868
1-[4-(Imidazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 157551303

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 158677669) is 1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole is Cc1cc(C(F)(F)F)ccc1-n1cccn1.Cc1cc(C(F)(F)F)ccc1-n1ccnc1.Cc1cc(C(F)(F)F)ccc1-n1ccnn1.Cc1cc(C(F)(F)F)ccc1-n1cncn1.Cc1cc(C(F)(F)F)ccc1-n1cnnc1.Cc1cc(C(F)(F)F)ccc1-n1nccn1.
What is the InChIKey of 1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is IESMEWVGTZEZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H9F3N2.4C10H8F3N3/c1-8-7-9(11(12,13)14)3-4-10(8)16-6-2-5-15-16;1-8-6-9(11(12,13)14)2-3-10(8)16-5-4-15-7-16;1-7-4-8(10(11,12)13)2-3-9(7)16-5-14-15-6-16;1-7-4-8(10(11,12)13)2-3-9(7)16-6-14-5-15-16;1-7-6-8(10(11,12)13)2-3-9(7)16-5-4-14-15-16;1-7-6-8(10(11,12)13)2-3-9(7)16-14-4-5-15-16/h2*2-7H,1H3;4*2-6H,1H3.
What are the key properties of 1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole?
1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 1361.16 g/mol, XLogP of 16.78, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(trifluoromethyl)phenyl]imidazole;1-[2-methyl-4-(trifluoromethyl)phenyl]pyrazole;1-[2-methyl-4-(trifluoromethyl)phenyl]triazole;1-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole;2-[2-methyl-4-(trifluoromethyl)phenyl]triazole;4-[2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 158677669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).