2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid

C13H13FN2O2 — CID 43445116

IUPAC2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid
SMILESCC(C)c1[nH]c(-c2cccc(F)c2)nc1C(=O)O
InChIInChI=1S/C13H13FN2O2/c1-7(2)10-11(13(17)18)16-12(15-10)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyHBSUBGGATCKRDA-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.04
Rot. Bonds3

About 2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid

2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid (PubChem CID 43445116) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid
PubChem CID43445116
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid
SMILESCC(C)c1[nH]c(-c2cccc(F)c2)nc1C(=O)O
InChIInChI=1S/C13H13FN2O2/c1-7(2)10-11(13(17)18)16-12(15-10)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyHBSUBGGATCKRDA-UHFFFAOYSA-N
XLogP3.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid
CID 46313709
guanidine;methylsulfonyl 2-(3-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 87728562
6-ethyl-2-(3-fluorophenyl)-1H-pyrimidine-4-thione
CID 94076931
2-(3-fluorophenyl)-5-(methoxymethyl)-4-phenyl-1H-imidazole
CID 59384747
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
4-[[3-(4-fluorophenyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxylic acid
CID 71453563
4-(3-fluorophenyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 105475415
N-(diaminomethylidene)-2-(3-fluorophenyl)-5-methyl-1H-imidazole-4-carboxamide;methanesulfonic acid
CID 25011794
4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 43157693
6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid
CID 97181116
5-bromo-2-(3-fluorophenyl)-6-propyl-1H-pyrimidine-4-thione
CID 106479256
2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 46948710

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid (CID 43445116) is 2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid is CC(C)c1[nH]c(-c2cccc(F)c2)nc1C(=O)O.
What is the InChIKey of 2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid?
The InChIKey is HBSUBGGATCKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-7(2)10-11(13(17)18)16-12(15-10)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid?
2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-propan-2-yl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 43445116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).