4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide

C34H27F6N3O3 — CID 122436652

IUPAC4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H27F6N3O3/c1-41-32(44)23-6-4-20(5-7-23)19-43-30(22-10-14-28(46-3)15-11-22)29(21-8-12-27(45-2)13-9-21)42-31(43)24-16-25(33(35,36)37)18-26(17-24)34(38,39)40/h4-18H,19H2,1-3H3,(H,41,44)
InChIKeyCPNWHKDOESYTLI-UHFFFAOYSA-N
MW639.60 g/mol
LogP8.35
Rot. Bonds8

About 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide

4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide (PubChem CID 122436652) has the molecular formula C34H27F6N3O3 and a molecular weight of 639.60 g/mol. Its IUPAC name is 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide
PubChem CID122436652
Molecular FormulaC34H27F6N3O3
Molecular Weight639.60 g/mol
Exact Mass639.20
IUPAC Name4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cn2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C34H27F6N3O3/c1-41-32(44)23-6-4-20(5-7-23)19-43-30(22-10-14-28(46-3)15-11-22)29(21-8-12-27(45-2)13-9-21)42-31(43)24-16-25(33(35,36)37)18-26(17-24)34(38,39)40/h4-18H,19H2,1-3H3,(H,41,44)
InChIKeyCPNWHKDOESYTLI-UHFFFAOYSA-N
XLogP8.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.60
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 142732325
2,5-bis(4-chlorophenyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 3732902
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[4,5-bis(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzamide
CID 122436576
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-(3,5-dicyanophenyl)-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
CID 122436734
1-benzyl-2,4,5-tris[3,5-bis(trifluoromethyl)phenyl]imidazole
CID 138757291
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[4,5-bis(4-methoxy-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]benzamide
CID 122436552
4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(2-methylphenyl)imidazol-1-yl]methyl]benzamide
CID 122436675
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[4,5-bis(4-methoxyphenyl)-2-pyridin-3-ylimidazol-1-yl]methyl]benzamide
CID 122436657
2-phenyl-5-[[2,4,5-tris(4-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 174813442
4-[2-(2-aminoethoxy)ethoxy]-1-[4-[[2-(3,5-dimethoxyphenyl)-4,5-bis(4-fluorophenyl)imidazol-1-yl]methyl]phenyl]butan-1-one
CID 160923208
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[4,5-bis(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)imidazol-1-yl]methyl]benzamide
CID 122436616
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(4-chlorophenyl)imidazol-1-yl]methyl]benzamide
CID 122436619

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide (CID 122436652) is 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide is CNC(=O)c1ccc(Cn2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide?
The InChIKey is CPNWHKDOESYTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F6N3O3/c1-41-32(44)23-6-4-20(5-7-23)19-43-30(22-10-14-28(46-3)15-11-22)29(21-8-12-27(45-2)13-9-21)42-31(43)24-16-25(33(35,36)37)18-26(17-24)34(38,39)40/h4-18H,19H2,1-3H3,(H,41,44).
What are the key properties of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide?
4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide has a molecular weight of 639.60 g/mol, XLogP of 8.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 122436652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).