8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine

C26H23F3N6 — CID 171782524

IUPAC8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCC(C)c1ccccc1-c1nc2c(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)cncn2n1
InChIInChI=1S/C26H23F3N6/c1-16(2)20-6-4-5-7-21(20)23-32-25-19(13-30-15-35(25)33-23)12-17-8-10-18(11-9-17)24-31-22(14-34(24)3)26(27,28)29/h4-11,13-16H,12H2,1-3H3
InChIKeyZCHMKTYFYLXVLA-UHFFFAOYSA-N
MW476.51 g/mol
LogP5.92
Rot. Bonds5

About 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine

8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 171782524) has the molecular formula C26H23F3N6 and a molecular weight of 476.51 g/mol. Its IUPAC name is 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID171782524
Molecular FormulaC26H23F3N6
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC Name8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCC(C)c1ccccc1-c1nc2c(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)cncn2n1
InChIInChI=1S/C26H23F3N6/c1-16(2)20-6-4-5-7-21(20)23-32-25-19(13-30-15-35(25)33-23)12-17-8-10-18(11-9-17)24-31-22(14-34(24)3)26(27,28)29/h4-11,13-16H,12H2,1-3H3
InChIKeyZCHMKTYFYLXVLA-UHFFFAOYSA-N
XLogP5.92
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.51
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine 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 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine (CID 171782524) is 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine is CC(C)c1ccccc1-c1nc2c(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)cncn2n1.
What is the InChIKey of 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is ZCHMKTYFYLXVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6/c1-16(2)20-6-4-5-7-21(20)23-32-25-19(13-30-15-35(25)33-23)12-17-8-10-18(11-9-17)24-31-22(14-34(24)3)26(27,28)29/h4-11,13-16H,12H2,1-3H3.
What are the key properties of 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine?
8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 476.51 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 171782524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).