3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide

C19H16F3N3O3 — CID 112523286

IUPAC3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H16F3N3O3/c1-28-16-8-7-13(19(20,21)22)9-14(16)24-17(26)15-10-23-18(27)25(15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,23,27)(H,24,26)
InChIKeyIQGWNBNCYCHCGR-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.50
Rot. Bonds5

About 3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide

3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide (PubChem CID 112523286) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide
PubChem CID112523286
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H16F3N3O3/c1-28-16-8-7-13(19(20,21)22)9-14(16)24-17(26)15-10-23-18(27)25(15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,23,27)(H,24,26)
InChIKeyIQGWNBNCYCHCGR-UHFFFAOYSA-N
XLogP3.50
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide
CID 112523234
N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147363
3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816
3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
CID 112522725
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
3-benzyl-N-(5-tert-butyl-2-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2088516
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 16549700
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 26177558
1-benzyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112765265
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
3-benzyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 27369245
1-benzyl-N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30997583

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide?
The IUPAC name of 3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide (CID 112523286) is 3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide.
What is the SMILES notation for 3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide?
The canonical SMILES for 3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide is COc1ccc(C(F)(F)F)cc1NC(=O)c1c[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide?
The InChIKey is IQGWNBNCYCHCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-28-16-8-7-13(19(20,21)22)9-14(16)24-17(26)15-10-23-18(27)25(15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide?
3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide is sourced from PubChem (CID 112523286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).