5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid

C14H14F2N2O2 — CID 62227006

IUPAC5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid
SMILESCC(C)(C)c1[nH]c(-c2ccc(F)cc2F)nc1C(=O)O
InChIInChI=1S/C14H14F2N2O2/c1-14(2,3)11-10(13(19)20)17-12(18-11)8-5-4-7(15)6-9(8)16/h4-6H,1-3H3,(H,17,18)(H,19,20)
InChIKeyLNTBOEUYCPYBJD-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.35
Rot. Bonds2

About 5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid

5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid (PubChem CID 62227006) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid
PubChem CID62227006
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid
SMILESCC(C)(C)c1[nH]c(-c2ccc(F)cc2F)nc1C(=O)O
InChIInChI=1S/C14H14F2N2O2/c1-14(2,3)11-10(13(19)20)17-12(18-11)8-5-4-7(15)6-9(8)16/h4-6H,1-3H3,(H,17,18)(H,19,20)
InChIKeyLNTBOEUYCPYBJD-UHFFFAOYSA-N
XLogP3.35
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 62227384
5-[2-(1-adamantyl)ethyl]-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid
CID 18405662
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878708
(2R)-1-[2-(2,4-difluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-phenylpropan-1-one
CID 97437934
2-(4-fluoro-2-methylphenyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136873120
5-chloro-4-(2,4-difluorophenyl)pyrimidine-2-carboxylic acid
CID 156842759
2-tert-butyl-6-(2,4-difluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106517009
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
4-(2,4-difluorophenyl)-3-hydroxybenzoic acid
CID 53225857
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
CID 78912108
6-(2,4-difluorophenyl)naphthalene-2-carboxylic acid
CID 172868740

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid (CID 62227006) is 5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid is CC(C)(C)c1[nH]c(-c2ccc(F)cc2F)nc1C(=O)O.
What is the InChIKey of 5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid?
The InChIKey is LNTBOEUYCPYBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-14(2,3)11-10(13(19)20)17-12(18-11)8-5-4-7(15)6-9(8)16/h4-6H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid?
5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid has a molecular weight of 280.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2,4-difluorophenyl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 62227006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).