4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide

C25H21F3N8O — CID 25171424

IUPAC4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide
SMILESCc1cn(-c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5)nn4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C25H21F3N8O/c1-15-4-5-17(6-23(15)36-13-22(32-33-36)18-10-30-34(3)12-18)24(37)31-20-7-19(25(26,27)28)8-21(9-20)35-11-16(2)29-14-35/h4-14H,1-3H3,(H,31,37)
InChIKeyXMYRCVAWJJTIRA-UHFFFAOYSA-N
MW506.49 g/mol
LogP4.74
Rot. Bonds5

About 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide

4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide (PubChem CID 25171424) has the molecular formula C25H21F3N8O and a molecular weight of 506.49 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide
PubChem CID25171424
Molecular FormulaC25H21F3N8O
Molecular Weight506.49 g/mol
Exact Mass506.18
IUPAC Name4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide
SMILESCc1cn(-c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5)nn4)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C25H21F3N8O/c1-15-4-5-17(6-23(15)36-13-22(32-33-36)18-10-30-34(3)12-18)24(37)31-20-7-19(25(26,27)28)8-21(9-20)35-11-16(2)29-14-35/h4-14H,1-3H3,(H,31,37)
InChIKeyXMYRCVAWJJTIRA-UHFFFAOYSA-N
XLogP4.74
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide 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 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?
The IUPAC name of 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide (CID 25171424) is 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?
The canonical SMILES for 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide is Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5)nn4)c3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?
The InChIKey is XMYRCVAWJJTIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N8O/c1-15-4-5-17(6-23(15)36-13-22(32-33-36)18-10-30-34(3)12-18)24(37)31-20-7-19(25(26,27)28)8-21(9-20)35-11-16(2)29-14-35/h4-14H,1-3H3,(H,31,37).
What are the key properties of 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide?
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide has a molecular weight of 506.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 25171424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).