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

C11H9FN2O2 — CID 18363449

IUPAC1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(F)cc2)cn1
InChIInChI=1S/C11H9FN2O2/c12-9-3-1-8(2-4-9)5-14-6-10(11(15)16)13-7-14/h1-4,6-7H,5H2,(H,15,16)
InChIKeyHFWRZHMTGUXNQY-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.77
Rot. Bonds3

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

1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid (PubChem CID 18363449) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid
PubChem CID18363449
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc(F)cc2)cn1
InChIInChI=1S/C11H9FN2O2/c12-9-3-1-8(2-4-9)5-14-6-10(11(15)16)13-7-14/h1-4,6-7H,5H2,(H,15,16)
InChIKeyHFWRZHMTGUXNQY-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid (CID 18363449) is 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid is O=C(O)c1cn(Cc2ccc(F)cc2)cn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid?
The InChIKey is HFWRZHMTGUXNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-3-1-8(2-4-9)5-14-6-10(11(15)16)13-7-14/h1-4,6-7H,5H2,(H,15,16).
What are the key properties of 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid?
1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 18363449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).