N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

C13H10F5N3O2 — CID 166321543

IUPACN-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C13H10F5N3O2/c1-6-5-19-10(20-6)11(22)21-7-2-3-9(23-12(14)15)8(4-7)13(16,17)18/h2-5,12H,1H3,(H,19,20)(H,21,22)
InChIKeyAKGRUGZMHCNVDT-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.59
Rot. Bonds4

About N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 166321543) has the molecular formula C13H10F5N3O2 and a molecular weight of 335.23 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID166321543
Molecular FormulaC13H10F5N3O2
Molecular Weight335.23 g/mol
Exact Mass335.07
IUPAC NameN-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C13H10F5N3O2/c1-6-5-19-10(20-6)11(22)21-7-2-3-9(23-12(14)15)8(4-7)13(16,17)18/h2-5,12H,1H3,(H,19,20)(H,21,22)
InChIKeyAKGRUGZMHCNVDT-UHFFFAOYSA-N
XLogP3.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 155883051
1H-Imidazole-4-carboxamide, N-(4-methoxyphenyl)-
CID 5297379
2-(3-Methoxyphenyl)-4-(trifluoromethyl)-1H-imidazole
CID 121597486
3-(4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 44406536
1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-imidazole-2-carboxamide
CID 44431922
1-[4-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 56966056
N-[[2-(difluoromethoxy)phenyl]methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 162653640
N-[[2-(difluoromethoxy)phenyl]methyl]-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 162672685
N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(3-methylpyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 162673899
N-[[2-(difluoromethoxy)phenyl]methyl]-N-[1-(methylamino)-1-oxopropan-2-yl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 162676762
4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one
CID 57394625
2-(azepane-1-carbonyl)-N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide
CID 162645532

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 166321543) is N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)[nH]1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is AKGRUGZMHCNVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5N3O2/c1-6-5-19-10(20-6)11(22)21-7-2-3-9(23-12(14)15)8(4-7)13(16,17)18/h2-5,12H,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 335.23 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 166321543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).