1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole

C15H11F6N5 — CID 171500959

IUPAC1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole
SMILESCn1cnc(Cn2cc(C(F)(F)F)nc2-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H11F6N5/c1-25-8-22-12(24-25)7-26-6-11(15(19,20)21)23-13(26)9-2-4-10(5-3-9)14(16,17)18/h2-6,8H,7H2,1H3
InChIKeyLYOMYEZSHOEFJB-UHFFFAOYSA-N
MW375.28 g/mol
LogP3.76
Rot. Bonds3

About 1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole

1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole (PubChem CID 171500959) has the molecular formula C15H11F6N5 and a molecular weight of 375.28 g/mol. Its IUPAC name is 1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole
PubChem CID171500959
Molecular FormulaC15H11F6N5
Molecular Weight375.28 g/mol
Exact Mass375.09
IUPAC Name1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole
SMILESCn1cnc(Cn2cc(C(F)(F)F)nc2-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H11F6N5/c1-25-8-22-12(24-25)7-26-6-11(15(19,20)21)23-13(26)9-2-4-10(5-3-9)14(16,17)18/h2-6,8H,7H2,1H3
InChIKeyLYOMYEZSHOEFJB-UHFFFAOYSA-N
XLogP3.76
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole?
The IUPAC name of 1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole (CID 171500959) is 1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole is Cn1cnc(Cn2cc(C(F)(F)F)nc2-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole?
The InChIKey is LYOMYEZSHOEFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5/c1-25-8-22-12(24-25)7-26-6-11(15(19,20)21)23-13(26)9-2-4-10(5-3-9)14(16,17)18/h2-6,8H,7H2,1H3.
What are the key properties of 1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole?
1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole has a molecular weight of 375.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]-1,2,4-triazole is sourced from PubChem (CID 171500959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).