2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride

C11H19ClN2O3 — CID 12870431

IUPAC2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride
SMILESCl.O=C(O)C(O)CCCCCCn1ccnc1
InChIInChI=1S/C11H18N2O3.ClH/c14-10(11(15)16)5-3-1-2-4-7-13-8-6-12-9-13;/h6,8-10,14H,1-5,7H2,(H,15,16);1H
InChIKeyWHQWQCGBIQBABI-UHFFFAOYSA-N
MW262.74 g/mol
LogP1.70
Rot. Bonds8

About 2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride

2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride (PubChem CID 12870431) has the molecular formula C11H19ClN2O3 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride
PubChem CID12870431
Molecular FormulaC11H19ClN2O3
Molecular Weight262.74 g/mol
Exact Mass262.11
IUPAC Name2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride
SMILESCl.O=C(O)C(O)CCCCCCn1ccnc1
InChIInChI=1S/C11H18N2O3.ClH/c14-10(11(15)16)5-3-1-2-4-7-13-8-6-12-9-13;/h6,8-10,14H,1-5,7H2,(H,15,16);1H
InChIKeyWHQWQCGBIQBABI-UHFFFAOYSA-N
XLogP1.70
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazole-1-octanoic acid
CID 125737
8-Imidazol-1-yloctanoic acid hydrochloride
CID 12870425
8-Imidazol-1-yl-2-methyloctanoic acid;hydrochloride
CID 12870427
1-(7-Carboxy-7-hydroxymethylheptyl)imidazole hydrochloride
CID 12870433
8-Imidazol-1-yl-2,2-dimethyloctanoic acid;hydrochloride
CID 12870455
8-Imidazol-1-yl-8-methylnonanoic acid;hydrochloride
CID 12870496
8-Imidazol-1-yl-4,4-dimethyloctanoic acid;hydrochloride
CID 12870498
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
6-Imidazol-1-ylhexanoic acid;hydrochloride
CID 45264028
1H-Imidazole-1-heptanoic acid, methyl ester
CID 3050286

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride?
The IUPAC name of 2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride (CID 12870431) is 2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride.
What is the SMILES notation for 2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride?
The canonical SMILES for 2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride is Cl.O=C(O)C(O)CCCCCCn1ccnc1.
What is the InChIKey of 2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride?
The InChIKey is WHQWQCGBIQBABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.ClH/c14-10(11(15)16)5-3-1-2-4-7-13-8-6-12-9-13;/h6,8-10,14H,1-5,7H2,(H,15,16);1H.
What are the key properties of 2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride?
2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-imidazol-1-yloctanoic acid;hydrochloride is sourced from PubChem (CID 12870431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).