2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid

C17H13FN2O3 — CID 14100159

IUPAC2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2C(=O)O)cc1
InChIInChI=1S/C17H13FN2O3/c1-23-13-8-4-10(5-9-13)14-15(17(21)22)20-16(19-14)11-2-6-12(18)7-3-11/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyXBQCOAUYMDZLEM-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.59
Rot. Bonds4

About 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid

2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 14100159) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid
PubChem CID14100159
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2C(=O)O)cc1
InChIInChI=1S/C17H13FN2O3/c1-23-13-8-4-10(5-9-13)14-15(17(21)22)20-16(19-14)11-2-6-12(18)7-3-11/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyXBQCOAUYMDZLEM-UHFFFAOYSA-N
XLogP3.59
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid (CID 14100159) is 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid is COc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2C(=O)O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is XBQCOAUYMDZLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-23-13-8-4-10(5-9-13)14-15(17(21)22)20-16(19-14)11-2-6-12(18)7-3-11/h2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 312.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 14100159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).