4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide

C33H25F6N3O — CID 122436675

IUPAC4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide
SMILESCc1ccccc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(Cc2ccc(C(N)=O)cc2)c1-c1ccccc1C
InChIInChI=1S/C33H25F6N3O/c1-19-7-3-5-9-26(19)28-29(27-10-6-4-8-20(27)2)42(18-21-11-13-22(14-12-21)30(40)43)31(41-28)23-15-24(32(34,35)36)17-25(16-23)33(37,38)39/h3-17H,18H2,1-2H3,(H2,40,43)
InChIKeyJZBVVAVUFPUGLF-UHFFFAOYSA-N
MW593.57 g/mol
LogP8.69
Rot. Bonds6

About 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide

4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide (PubChem CID 122436675) has the molecular formula C33H25F6N3O and a molecular weight of 593.57 g/mol. Its IUPAC name is 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide
PubChem CID122436675
Molecular FormulaC33H25F6N3O
Molecular Weight593.57 g/mol
Exact Mass593.19
IUPAC Name4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide
SMILESCc1ccccc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(Cc2ccc(C(N)=O)cc2)c1-c1ccccc1C
InChIInChI=1S/C33H25F6N3O/c1-19-7-3-5-9-26(19)28-29(27-10-6-4-8-20(27)2)42(18-21-11-13-22(14-12-21)30(40)43)31(41-28)23-15-24(32(34,35)36)17-25(16-23)33(37,38)39/h3-17H,18H2,1-2H3,(H2,40,43)
InChIKeyJZBVVAVUFPUGLF-UHFFFAOYSA-N
XLogP8.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.57
LogP ≤ 58.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide 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-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-(3,5-dimethylphenyl)-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide
CID 122436606
1-benzyl-2,4,5-tris[3,5-bis(trifluoromethyl)phenyl]imidazole
CID 138757291
4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide
CID 122436652
4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 142732325
2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 144948501
4-[(4-chloro-2-methyl-6-oxopyrimidin-1-yl)methyl]benzamide
CID 114581834
2-[3-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
CID 15503234
2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]indole-5-carboxamide
CID 78012061
3-[3,5-bis(trifluoromethyl)phenyl]-4-methylbenzoic acid
CID 87430681
4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide
CID 22392850
2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]indole-5-carboxamide
CID 71112920
4-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 175895572

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide?
The IUPAC name of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide (CID 122436675) is 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide is Cc1ccccc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(Cc2ccc(C(N)=O)cc2)c1-c1ccccc1C.
What is the InChIKey of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide?
The InChIKey is JZBVVAVUFPUGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F6N3O/c1-19-7-3-5-9-26(19)28-29(27-10-6-4-8-20(27)2)42(18-21-11-13-22(14-12-21)30(40)43)31(41-28)23-15-24(32(34,35)36)17-25(16-23)33(37,38)39/h3-17H,18H2,1-2H3,(H2,40,43).
What are the key properties of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide?
4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide has a molecular weight of 593.57 g/mol, XLogP of 8.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 122436675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).