3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid

C15H12N4O2 — CID 56710488

IUPAC3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid
SMILESNc1cccc(-n2ccnc2-c2cccc(C(=O)O)c2)n1
InChIInChI=1S/C15H12N4O2/c16-12-5-2-6-13(18-12)19-8-7-17-14(19)10-3-1-4-11(9-10)15(20)21/h1-9H,(H2,16,18)(H,20,21)
InChIKeyPBECLTKICOEGIU-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.21
Rot. Bonds3

About 3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid

3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid (PubChem CID 56710488) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid
PubChem CID56710488
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid
SMILESNc1cccc(-n2ccnc2-c2cccc(C(=O)O)c2)n1
InChIInChI=1S/C15H12N4O2/c16-12-5-2-6-13(18-12)19-8-7-17-14(19)10-3-1-4-11(9-10)15(20)21/h1-9H,(H2,16,18)(H,20,21)
InChIKeyPBECLTKICOEGIU-UHFFFAOYSA-N
XLogP2.21
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid?
The IUPAC name of 3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid (CID 56710488) is 3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid.
What is the SMILES notation for 3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid?
The canonical SMILES for 3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid is Nc1cccc(-n2ccnc2-c2cccc(C(=O)O)c2)n1.
What is the InChIKey of 3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid?
The InChIKey is PBECLTKICOEGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-12-5-2-6-13(18-12)19-8-7-17-14(19)10-3-1-4-11(9-10)15(20)21/h1-9H,(H2,16,18)(H,20,21).
What are the key properties of 3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid?
3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid has a molecular weight of 280.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-amino-2-pyridinyl)imidazol-2-yl]benzoic acid is sourced from PubChem (CID 56710488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).