N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide

C25H26F3N3O5 — CID 17344467

IUPACN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)cc(OC)c1OC
InChIInChI=1S/C25H26F3N3O5/c1-34-18-13-16(14-19(35-2)20(18)36-3)22(32)30-24(25(26,27)28)23(33)31(17-11-7-8-12-17)21(29-24)15-9-5-4-6-10-15/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3,(H,30,32)
InChIKeyJFZPHAVDVAQAGV-UHFFFAOYSA-N
MW505.49 g/mol
LogP3.93
Rot. Bonds7

About N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide

N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide (PubChem CID 17344467) has the molecular formula C25H26F3N3O5 and a molecular weight of 505.49 g/mol. Its IUPAC name is N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide
PubChem CID17344467
Molecular FormulaC25H26F3N3O5
Molecular Weight505.49 g/mol
Exact Mass505.18
IUPAC NameN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)cc(OC)c1OC
InChIInChI=1S/C25H26F3N3O5/c1-34-18-13-16(14-19(35-2)20(18)36-3)22(32)30-24(25(26,27)28)23(33)31(17-11-7-8-12-17)21(29-24)15-9-5-4-6-10-15/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3,(H,30,32)
InChIKeyJFZPHAVDVAQAGV-UHFFFAOYSA-N
XLogP3.93
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506286
N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 51506909
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]benzenesulfonamide
CID 17087889
3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344493
N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide
CID 17344728
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3,4,5-trimethoxybenzamide
CID 71779529
3-methyl-N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51508104
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
CID 2216992
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
CID 8781434
3-methyl-N-[(4S)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28922592
4-tert-butyl-N-[(4R)-5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 28963503

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide (CID 17344467) is N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)cc(OC)c1OC.
What is the InChIKey of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is JFZPHAVDVAQAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O5/c1-34-18-13-16(14-19(35-2)20(18)36-3)22(32)30-24(25(26,27)28)23(33)31(17-11-7-8-12-17)21(29-24)15-9-5-4-6-10-15/h4-6,9-10,13-14,17H,7-8,11-12H2,1-3H3,(H,30,32).
What are the key properties of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide?
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 505.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 17344467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).