5-imidazol-1-ylpentanoic acid;hydrochloride

C8H13ClN2O2 — CID 45259324

IUPAC5-imidazol-1-ylpentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCn1ccnc1
InChIInChI=1S/C8H12N2O2.ClH/c11-8(12)3-1-2-5-10-6-4-9-7-10;/h4,6-7H,1-3,5H2,(H,11,12);1H
InChIKeyHAEKKZYPJPHQOP-UHFFFAOYSA-N
MW204.66 g/mol
LogP1.56
Rot. Bonds5

About 5-imidazol-1-ylpentanoic acid;hydrochloride

5-imidazol-1-ylpentanoic acid;hydrochloride (PubChem CID 45259324) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 5-imidazol-1-ylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-imidazol-1-ylpentanoic acid;hydrochloride
PubChem CID45259324
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name5-imidazol-1-ylpentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCn1ccnc1
InChIInChI=1S/C8H12N2O2.ClH/c11-8(12)3-1-2-5-10-6-4-9-7-10;/h4,6-7H,1-3,5H2,(H,11,12);1H
InChIKeyHAEKKZYPJPHQOP-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-imidazol-1-ylpentanoic acid;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

3-(1H-imidazol-1-yl)propanoic acid
CID 2794718
1H-Imidazole-1-butanoic acid
CID 3055390
1H-Imidazole-1-octanoic acid
CID 125737
8-Imidazol-1-yloctanoic acid hydrochloride
CID 12870425
3-(1H-imidazol-1-yl)butanoic acid
CID 3101198
8-Imidazol-1-yloct-2-ynoic acid;hydrochloride
CID 12870461
8-Imidazol-1-yloct-6-ynoic acid;hydrochloride
CID 12870467
7-Imidazol-1-ylheptanoic acid;hydrochloride
CID 12870526
10-(1H-imidazol-1-yl)decanoic acid
CID 12803316
12-(1H-imidazol-1-yl)dodecanoic acid
CID 12803318
8-Imidazol-1-ylocta-6,7-dienoic acid;hydrochloride
CID 12870457
6-Imidazol-1-ylhexanoic acid;hydrochloride
CID 45264028

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-ylpentanoic acid;hydrochloride?
The IUPAC name of 5-imidazol-1-ylpentanoic acid;hydrochloride (CID 45259324) is 5-imidazol-1-ylpentanoic acid;hydrochloride.
What is the SMILES notation for 5-imidazol-1-ylpentanoic acid;hydrochloride?
The canonical SMILES for 5-imidazol-1-ylpentanoic acid;hydrochloride is Cl.O=C(O)CCCCn1ccnc1.
What is the InChIKey of 5-imidazol-1-ylpentanoic acid;hydrochloride?
The InChIKey is HAEKKZYPJPHQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c11-8(12)3-1-2-5-10-6-4-9-7-10;/h4,6-7H,1-3,5H2,(H,11,12);1H.
What are the key properties of 5-imidazol-1-ylpentanoic acid;hydrochloride?
5-imidazol-1-ylpentanoic acid;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-ylpentanoic acid;hydrochloride is sourced from PubChem (CID 45259324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).