N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide

C18H16F3N3O4 — CID 17344757

IUPACN-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C(F)(F)F)N=C(C)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C18H16F3N3O4/c1-11-22-17(18(19,20)21,16(26)24(11)10-14-4-3-9-28-14)23-15(25)12-5-7-13(27-2)8-6-12/h3-9H,10H2,1-2H3,(H,23,25)
InChIKeyFXIBHXSWOUILTH-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.74
Rot. Bonds5

About N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide

N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide (PubChem CID 17344757) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide
PubChem CID17344757
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC NameN-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C(F)(F)F)N=C(C)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C18H16F3N3O4/c1-11-22-17(18(19,20)21,16(26)24(11)10-14-4-3-9-28-14)23-15(25)12-5-7-13(27-2)8-6-12/h3-9H,10H2,1-2H3,(H,23,25)
InChIKeyFXIBHXSWOUILTH-UHFFFAOYSA-N
XLogP2.74
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide
CID 17344621
N-[1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344633
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
2-chloro-N-[(4R)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 29098751
2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51525464
4-chloro-N-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7012719
N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 7012722
(5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 29072072
N-[(4R)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]furan-2-carboxamide
CID 51542640
4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
N-[(5S)-1-(furan-2-ylmethyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-methylbenzamide
CID 25287700
3-methoxy-N-[(4S)-5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 29105150

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide (CID 17344757) is N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2(C(F)(F)F)N=C(C)N(Cc3ccco3)C2=O)cc1.
What is the InChIKey of N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide?
The InChIKey is FXIBHXSWOUILTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c1-11-22-17(18(19,20)21,16(26)24(11)10-14-4-3-9-28-14)23-15(25)12-5-7-13(27-2)8-6-12/h3-9H,10H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide?
N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide has a molecular weight of 395.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 17344757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).