4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid

C15H11N3O2 — CID 118978824

IUPAC4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(-n3ccnc3)cn2)cc1
InChIInChI=1S/C15H11N3O2/c19-15(20)12-3-1-11(2-4-12)14-6-5-13(9-17-14)18-8-7-16-10-18/h1-10H,(H,19,20)
InChIKeyVXVCTUNAMOQBTP-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.63
Rot. Bonds3

About 4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid

4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid (PubChem CID 118978824) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid
PubChem CID118978824
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(-n3ccnc3)cn2)cc1
InChIInChI=1S/C15H11N3O2/c19-15(20)12-3-1-11(2-4-12)14-6-5-13(9-17-14)18-8-7-16-10-18/h1-10H,(H,19,20)
InChIKeyVXVCTUNAMOQBTP-UHFFFAOYSA-N
XLogP2.63
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid?
The IUPAC name of 4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid (CID 118978824) is 4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid?
The canonical SMILES for 4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid is O=C(O)c1ccc(-c2ccc(-n3ccnc3)cn2)cc1.
What is the InChIKey of 4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid?
The InChIKey is VXVCTUNAMOQBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-15(20)12-3-1-11(2-4-12)14-6-5-13(9-17-14)18-8-7-16-10-18/h1-10H,(H,19,20).
What are the key properties of 4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid?
4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid has a molecular weight of 265.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-imidazol-1-yl-2-pyridinyl)benzoic acid is sourced from PubChem (CID 118978824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).