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

C33H25F6N3O2 — CID 88545490

IUPAC4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C33H25F6N3O2/c1-19-3-7-21(8-4-19)28-29(22-11-13-27(44-2)14-12-22)42(18-20-5-9-23(10-6-20)30(40)43)31(41-28)24-15-25(32(34,35)36)17-26(16-24)33(37,38)39/h3-17H,18H2,1-2H3,(H2,40,43)
InChIKeyNGWGSHCYWJYAFH-UHFFFAOYSA-N
MW609.57 g/mol
LogP8.39
Rot. Bonds7

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

4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide (PubChem CID 88545490) has the molecular formula C33H25F6N3O2 and a molecular weight of 609.57 g/mol. Its IUPAC name is 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide
PubChem CID88545490
Molecular FormulaC33H25F6N3O2
Molecular Weight609.57 g/mol
Exact Mass609.19
IUPAC Name4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C33H25F6N3O2/c1-19-3-7-21(8-4-19)28-29(22-11-13-27(44-2)14-12-22)42(18-20-5-9-23(10-6-20)30(40)43)31(41-28)24-15-25(32(34,35)36)17-26(16-24)33(37,38)39/h3-17H,18H2,1-2H3,(H2,40,43)
InChIKeyNGWGSHCYWJYAFH-UHFFFAOYSA-N
XLogP8.39
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.57
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide?
The IUPAC name of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide (CID 88545490) is 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide is COc1ccc(-c2c(-c3ccc(C)cc3)nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide?
The InChIKey is NGWGSHCYWJYAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F6N3O2/c1-19-3-7-21(8-4-19)28-29(22-11-13-27(44-2)14-12-22)42(18-20-5-9-23(10-6-20)30(40)43)31(41-28)24-15-25(32(34,35)36)17-26(16-24)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]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide?
4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide has a molecular weight of 609.57 g/mol, XLogP of 8.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)-4-(4-methylphenyl)imidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 88545490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).