3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

C28H26F3N3O6 — CID 17344473

IUPAC3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCOc1ccc(CN2C(=O)C(NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C28H26F3N3O6/c1-37-20-12-10-17(11-13-20)16-34-24(18-8-6-5-7-9-18)32-27(26(34)36,28(29,30)31)33-25(35)19-14-21(38-2)23(40-4)22(15-19)39-3/h5-15H,16H2,1-4H3,(H,33,35)
InChIKeyAEYRQNTWEQZPTO-UHFFFAOYSA-N
MW557.53 g/mol
LogP4.20
Rot. Bonds9

About 3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 17344473) has the molecular formula C28H26F3N3O6 and a molecular weight of 557.53 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID17344473
Molecular FormulaC28H26F3N3O6
Molecular Weight557.53 g/mol
Exact Mass557.18
IUPAC Name3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCOc1ccc(CN2C(=O)C(NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C28H26F3N3O6/c1-37-20-12-10-17(11-13-20)16-34-24(18-8-6-5-7-9-18)32-27(26(34)36,28(29,30)31)33-25(35)19-14-21(38-2)23(40-4)22(15-19)39-3/h5-15H,16H2,1-4H3,(H,33,35)
InChIKeyAEYRQNTWEQZPTO-UHFFFAOYSA-N
XLogP4.20
TPSA98.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide
CID 17344467
3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344493
N-[4-benzoyl-1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-3,4,5-trimethoxybenzamide
CID 4276552
3-methoxy-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 29105150
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344368
ethyl N-[(4S)-1-[(4-fluorophenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
CID 29021418
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
CID 2216992
4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28963503
3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28922592
N-[(3S)-4-benzoyl-1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-3,4,5-trimethoxybenzamide
CID 98323724

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 17344473) is 3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is COc1ccc(CN2C(=O)C(NC(=O)c3cc(OC)c(OC)c(OC)c3)(C(F)(F)F)N=C2c2ccccc2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is AEYRQNTWEQZPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O6/c1-37-20-12-10-17(11-13-20)16-34-24(18-8-6-5-7-9-18)32-27(26(34)36,28(29,30)31)33-25(35)19-14-21(38-2)23(40-4)22(15-19)39-3/h5-15H,16H2,1-4H3,(H,33,35).
What are the key properties of 3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 557.53 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 17344473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).