4-(4-imidazol-1-ylphenyl)benzoic acid

C16H12N2O2 — CID 118978745

IUPAC4-(4-imidazol-1-ylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C16H12N2O2/c19-16(20)14-3-1-12(2-4-14)13-5-7-15(8-6-13)18-10-9-17-11-18/h1-11H,(H,19,20)
InChIKeyHDHDRYYOVSZQDD-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.24
Rot. Bonds3

About 4-(4-imidazol-1-ylphenyl)benzoic acid

4-(4-imidazol-1-ylphenyl)benzoic acid (PubChem CID 118978745) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-imidazol-1-ylphenyl)benzoic acid
PubChem CID118978745
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-(4-imidazol-1-ylphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C16H12N2O2/c19-16(20)14-3-1-12(2-4-14)13-5-7-15(8-6-13)18-10-9-17-11-18/h1-11H,(H,19,20)
InChIKeyHDHDRYYOVSZQDD-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylphenyl)benzoic acid?
The IUPAC name of 4-(4-imidazol-1-ylphenyl)benzoic acid (CID 118978745) is 4-(4-imidazol-1-ylphenyl)benzoic acid.
What is the SMILES notation for 4-(4-imidazol-1-ylphenyl)benzoic acid?
The canonical SMILES for 4-(4-imidazol-1-ylphenyl)benzoic acid is O=C(O)c1ccc(-c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 4-(4-imidazol-1-ylphenyl)benzoic acid?
The InChIKey is HDHDRYYOVSZQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(20)14-3-1-12(2-4-14)13-5-7-15(8-6-13)18-10-9-17-11-18/h1-11H,(H,19,20).
What are the key properties of 4-(4-imidazol-1-ylphenyl)benzoic acid?
4-(4-imidazol-1-ylphenyl)benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylphenyl)benzoic acid is sourced from PubChem (CID 118978745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).