1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid

C17H12ClFN2O2 — CID 59022956

IUPAC1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2)c(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H12ClFN2O2/c18-12-3-7-14(8-4-12)21-10-15(17(22)23)20-16(21)9-11-1-5-13(19)6-2-11/h1-8,10H,9H2,(H,22,23)
InChIKeyODIJQIXNOIZUSB-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.95
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid

1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid (PubChem CID 59022956) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid
PubChem CID59022956
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC Name1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(Cl)cc2)c(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H12ClFN2O2/c18-12-3-7-14(8-4-12)21-10-15(17(22)23)20-16(21)9-11-1-5-13(19)6-2-11/h1-8,10H,9H2,(H,22,23)
InChIKeyODIJQIXNOIZUSB-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid (CID 59022956) is 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid is O=C(O)c1cn(-c2ccc(Cl)cc2)c(Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid?
The InChIKey is ODIJQIXNOIZUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c18-12-3-7-14(8-4-12)21-10-15(17(22)23)20-16(21)9-11-1-5-13(19)6-2-11/h1-8,10H,9H2,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid?
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid has a molecular weight of 330.75 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 59022956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).