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

C12H10F3N3O — CID 110683987

IUPAC5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F3N3O/c1-7-10(17-6-16-7)11(19)18-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyMGZNOTDZXGIQQF-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.99
Rot. Bonds2

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

5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide (PubChem CID 110683987) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
PubChem CID110683987
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F3N3O/c1-7-10(17-6-16-7)11(19)18-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyMGZNOTDZXGIQQF-UHFFFAOYSA-N
XLogP2.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683972
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110860901
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110766224
2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 110860959
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 9400205
N-(2,5-dimethylphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683959
4-oxo-N-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 57381311
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-imidazole-5-carboxamide
CID 161327614
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide (CID 110683987) is 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
The InChIKey is MGZNOTDZXGIQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-7-10(17-6-16-7)11(19)18-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide?
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide has a molecular weight of 269.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 110683987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).