N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C13H12F3N3O — CID 100819634

IUPACN-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H12F3N3O/c1-2-17-12(20)11-7-19(8-18-11)10-5-3-4-9(6-10)13(14,15)16/h3-8H,2H2,1H3,(H,17,20)
InChIKeyXBEWWTFNTHZGNN-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.64
Rot. Bonds3

About N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 100819634) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID100819634
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H12F3N3O/c1-2-17-12(20)11-7-19(8-18-11)10-5-3-4-9(6-10)13(14,15)16/h3-8H,2H2,1H3,(H,17,20)
InChIKeyXBEWWTFNTHZGNN-UHFFFAOYSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816156
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816389
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020
1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide
CID 154850034
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone
CID 100816160
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 119504405
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 119504404
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119500898
N-(methoxymethyl)-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 67429505
N-[4-(ethylcarbamoyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55802087
N-ethyl-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71131088

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 100819634) is N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is CCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is XBEWWTFNTHZGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-17-12(20)11-7-19(8-18-11)10-5-3-4-9(6-10)13(14,15)16/h3-8H,2H2,1H3,(H,17,20).
What are the key properties of N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 100819634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).