2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid

C14H17N3O2 — CID 83041133

IUPAC2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1ccnc1-c1ccc(N)cc1
InChIInChI=1S/C14H17N3O2/c1-2-3-12(14(18)19)17-9-8-16-13(17)10-4-6-11(15)7-5-10/h4-9,12H,2-3,15H2,1H3,(H,18,19)
InChIKeyXAVQQVYDKZQSGL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid

2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid (PubChem CID 83041133) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid
PubChem CID83041133
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1ccnc1-c1ccc(N)cc1
InChIInChI=1S/C14H17N3O2/c1-2-3-12(14(18)19)17-9-8-16-13(17)10-4-6-11(15)7-5-10/h4-9,12H,2-3,15H2,1H3,(H,18,19)
InChIKeyXAVQQVYDKZQSGL-UHFFFAOYSA-N
XLogP2.56
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid?
The IUPAC name of 2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid (CID 83041133) is 2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid.
What is the SMILES notation for 2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid?
The canonical SMILES for 2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid is CCCC(C(=O)O)n1ccnc1-c1ccc(N)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid?
The InChIKey is XAVQQVYDKZQSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-12(14(18)19)17-9-8-16-13(17)10-4-6-11(15)7-5-10/h4-9,12H,2-3,15H2,1H3,(H,18,19).
What are the key properties of 2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid?
2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid is sourced from PubChem (CID 83041133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).