3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

C22H22F3N3O4 — CID 17344493

IUPAC3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCCCN1C(=O)C(NC(=O)c2ccc(OC)c(OC)c2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C22H22F3N3O4/c1-4-12-28-18(14-8-6-5-7-9-14)26-21(20(28)30,22(23,24)25)27-19(29)15-10-11-16(31-2)17(13-15)32-3/h5-11,13H,4,12H2,1-3H3,(H,27,29)
InChIKeyNXNXFMVNGLBLMU-UHFFFAOYSA-N
MW449.43 g/mol
LogP3.39
Rot. Bonds7

About 3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 17344493) has the molecular formula C22H22F3N3O4 and a molecular weight of 449.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID17344493
Molecular FormulaC22H22F3N3O4
Molecular Weight449.43 g/mol
Exact Mass449.16
IUPAC Name3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCCCN1C(=O)C(NC(=O)c2ccc(OC)c(OC)c2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C22H22F3N3O4/c1-4-12-28-18(14-8-6-5-7-9-14)26-21(20(28)30,22(23,24)25)27-19(29)15-10-11-16(31-2)17(13-15)32-3/h5-11,13H,4,12H2,1-3H3,(H,27,29)
InChIKeyNXNXFMVNGLBLMU-UHFFFAOYSA-N
XLogP3.39
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344473
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide
CID 17344467
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
CID 51542640
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344368
2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344708
N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779
2-chloro-N-[(4R)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 29098751
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2962074
N-[6,6-dimethyl-2,4-dioxo-1-phenyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500693
3,4-dimethoxy-N-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2065636
N-[(4R)-2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41064341
N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide
CID 17344757

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 17344493) is 3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is CCCN1C(=O)C(NC(=O)c2ccc(OC)c(OC)c2)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is NXNXFMVNGLBLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O4/c1-4-12-28-18(14-8-6-5-7-9-14)26-21(20(28)30,22(23,24)25)27-19(29)15-10-11-16(31-2)17(13-15)32-3/h5-11,13H,4,12H2,1-3H3,(H,27,29).
What are the key properties of 3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 449.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 17344493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).