3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

C6H6F3N3O — CID 175885239

IUPAC3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESNC(=O)c1cncn1CC(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)2-12-3-11-1-4(12)5(10)13/h1,3H,2H2,(H2,10,13)
InChIKeySUXLJWNFZLJXAB-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.54
Rot. Bonds2

About 3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide

3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (PubChem CID 175885239) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
PubChem CID175885239
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
SMILESNC(=O)c1cncn1CC(F)(F)F
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)2-12-3-11-1-4(12)5(10)13/h1,3H,2H2,(H2,10,13)
InChIKeySUXLJWNFZLJXAB-UHFFFAOYSA-N
XLogP0.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-fluoro-2-methylpropyl)imidazol-4-yl]ethanone
CID 84659610
ethyl 3-(3-amino-2,2-difluoropropyl)imidazole-4-carboxylate
CID 114384618
3-[(2-methyl-4-pyridinyl)methyl]imidazole-4-carboxamide
CID 71117995
5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
CID 66149167
2-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 175864477
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
3-(2-hydroxypropan-2-yl)imidazole-4-carboxamide
CID 23221887
methyl 2-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methylamino]acetate
CID 178144000
1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 177051073
N'-amino-3-ethylimidazole-4-carboximidamide
CID 66135665
tert-butyl N-[[3-(2,2,2-trifluoroethyl)imidazol-4-yl]methyl]carbamate
CID 114703197
4-amino-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 132586707

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The IUPAC name of 3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide (CID 175885239) is 3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is NC(=O)c1cncn1CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
The InChIKey is SUXLJWNFZLJXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)2-12-3-11-1-4(12)5(10)13/h1,3H,2H2,(H2,10,13).
What are the key properties of 3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide?
3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide is sourced from PubChem (CID 175885239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).