4-(2-aminoimidazol-1-yl)benzoic acid

C10H9N3O2 — CID 22628105

IUPAC4-(2-aminoimidazol-1-yl)benzoic acid
SMILESNc1nccn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H9N3O2/c11-10-12-5-6-13(10)8-3-1-7(2-4-8)9(14)15/h1-6H,(H2,11,12)(H,14,15)
InChIKeyONDPEBHWDDCDHZ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.15
Rot. Bonds2

About 4-(2-aminoimidazol-1-yl)benzoic acid

4-(2-aminoimidazol-1-yl)benzoic acid (PubChem CID 22628105) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-(2-aminoimidazol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-aminoimidazol-1-yl)benzoic acid
PubChem CID22628105
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name4-(2-aminoimidazol-1-yl)benzoic acid
SMILESNc1nccn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H9N3O2/c11-10-12-5-6-13(10)8-3-1-7(2-4-8)9(14)15/h1-6H,(H2,11,12)(H,14,15)
InChIKeyONDPEBHWDDCDHZ-UHFFFAOYSA-N
XLogP1.15
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-aminoimidazol-1-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoimidazol-1-yl)benzoic acid?
The IUPAC name of 4-(2-aminoimidazol-1-yl)benzoic acid (CID 22628105) is 4-(2-aminoimidazol-1-yl)benzoic acid.
What is the SMILES notation for 4-(2-aminoimidazol-1-yl)benzoic acid?
The canonical SMILES for 4-(2-aminoimidazol-1-yl)benzoic acid is Nc1nccn1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-aminoimidazol-1-yl)benzoic acid?
The InChIKey is ONDPEBHWDDCDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-10-12-5-6-13(10)8-3-1-7(2-4-8)9(14)15/h1-6H,(H2,11,12)(H,14,15).
What are the key properties of 4-(2-aminoimidazol-1-yl)benzoic acid?
4-(2-aminoimidazol-1-yl)benzoic acid has a molecular weight of 203.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoimidazol-1-yl)benzoic acid is sourced from PubChem (CID 22628105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).