5-(trifluoromethyl)-1H-imidazole-2-carboxamide

C5H4F3N3O — CID 45120707

IUPAC5-(trifluoromethyl)-1H-imidazole-2-carboxamide
SMILESNC(=O)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)2-1-10-4(11-2)3(9)12/h1H,(H2,9,12)(H,10,11)
InChIKeyNHKDLZBBNYAASU-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.53
Rot. Bonds1

About 5-(trifluoromethyl)-1H-imidazole-2-carboxamide

5-(trifluoromethyl)-1H-imidazole-2-carboxamide (PubChem CID 45120707) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-imidazole-2-carboxamide
PubChem CID45120707
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name5-(trifluoromethyl)-1H-imidazole-2-carboxamide
SMILESNC(=O)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)2-1-10-4(11-2)3(9)12/h1H,(H2,9,12)(H,10,11)
InChIKeyNHKDLZBBNYAASU-UHFFFAOYSA-N
XLogP0.53
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4(5)-(Trifluoromethyl)imidazole
CID 585891
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
N-(4-Methyl-1H-imidazol-2-yl)-acetamide
CID 566330
2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 313140
4-(difluoromethyl)-1H-imidazole
CID 12035266
4-Methyl-1H-imidazole-2-carboxaldehyde
CID 19428628
ethyl 4-(trifluoromethyl)-1H-imidazole-2-carboxylate
CID 67232218
2-methyl-1H-imidazole-4-carboxamide
CID 14517188
1-(4-Methyl-1H-imidazol-2-yl)ethanone
CID 565883
5-Methyl-2-(trifluoromethyl)-1H-imidazole
CID 591585
Ethanone, 1-[2-(trifluoromethyl)-1H-imidazol-5-yl]-
CID 13483388
4-(trifluoromethyl)-1H-imidazol-2-amine hydrochloride
CID 91663038

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-1H-imidazole-2-carboxamide (CID 45120707) is 5-(trifluoromethyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-1H-imidazole-2-carboxamide is NC(=O)c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
The InChIKey is NHKDLZBBNYAASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)2-1-10-4(11-2)3(9)12/h1H,(H2,9,12)(H,10,11).
What are the key properties of 5-(trifluoromethyl)-1H-imidazole-2-carboxamide?
5-(trifluoromethyl)-1H-imidazole-2-carboxamide has a molecular weight of 179.10 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 45120707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).