5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid

C6H5F3N2O2 — CID 67549808

IUPAC5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c1-2-3(6(7,8)9)11-4(10-2)5(12)13/h1H3,(H,10,11)(H,12,13)
InChIKeyHPTLDCPYUFXLCX-UHFFFAOYSA-N
MW194.11 g/mol
LogP1.44
Rot. Bonds1

About 5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid

5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid (PubChem CID 67549808) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid
PubChem CID67549808
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c1-2-3(6(7,8)9)11-4(10-2)5(12)13/h1H3,(H,10,11)(H,12,13)
InChIKeyHPTLDCPYUFXLCX-UHFFFAOYSA-N
XLogP1.44
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid (CID 67549808) is 5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid is Cc1[nH]c(C(=O)O)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid?
The InChIKey is HPTLDCPYUFXLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c1-2-3(6(7,8)9)11-4(10-2)5(12)13/h1H3,(H,10,11)(H,12,13).
What are the key properties of 5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid?
5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid has a molecular weight of 194.11 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)-1H-imidazole-2-carboxylic acid is sourced from PubChem (CID 67549808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).