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

C33H27F6N3O3 — CID 59293890

IUPAC4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide
SMILESCOc1ccc(C2N=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)N(Cc3ccc(C(N)=O)cc3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H27F6N3O3/c1-44-26-11-7-20(8-12-26)28-29(21-9-13-27(45-2)14-10-21)42(18-19-3-5-22(6-4-19)30(40)43)31(41-28)23-15-24(32(34,35)36)17-25(16-23)33(37,38)39/h3-17,28-29H,18H2,1-2H3,(H2,40,43)
InChIKeyMGQMAPMZXYEMGB-UHFFFAOYSA-N
MW627.59 g/mol
LogP7.59
Rot. Bonds8

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

4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide (PubChem CID 59293890) has the molecular formula C33H27F6N3O3 and a molecular weight of 627.59 g/mol. Its IUPAC name is 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide
PubChem CID59293890
Molecular FormulaC33H27F6N3O3
Molecular Weight627.59 g/mol
Exact Mass627.20
IUPAC Name4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide
SMILESCOc1ccc(C2N=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)N(Cc3ccc(C(N)=O)cc3)C2c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H27F6N3O3/c1-44-26-11-7-20(8-12-26)28-29(21-9-13-27(45-2)14-10-21)42(18-19-3-5-22(6-4-19)30(40)43)31(41-28)23-15-24(32(34,35)36)17-25(16-23)33(37,38)39/h3-17,28-29H,18H2,1-2H3,(H2,40,43)
InChIKeyMGQMAPMZXYEMGB-UHFFFAOYSA-N
XLogP7.59
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.59
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide?
The IUPAC name of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide (CID 59293890) is 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide is COc1ccc(C2N=C(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)N(Cc3ccc(C(N)=O)cc3)C2c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide?
The InChIKey is MGQMAPMZXYEMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27F6N3O3/c1-44-26-11-7-20(8-12-26)28-29(21-9-13-27(45-2)14-10-21)42(18-19-3-5-22(6-4-19)30(40)43)31(41-28)23-15-24(32(34,35)36)17-25(16-23)33(37,38)39/h3-17,28-29H,18H2,1-2H3,(H2,40,43).
What are the key properties of 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide?
4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]methyl]benzamide has a molecular weight of 627.59 g/mol, XLogP of 7.59, 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)-4,5-dihydroimidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 59293890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).