7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride

C11H19ClN2O2 — CID 12870528

IUPAC7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride
SMILESCc1nccn1CCCCCCC(=O)O.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-10-12-7-9-13(10)8-5-3-2-4-6-11(14)15;/h7,9H,2-6,8H2,1H3,(H,14,15);1H
InChIKeyUHKYZSMJEAJRQB-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.65
Rot. Bonds7

About 7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride

7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride (PubChem CID 12870528) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride.

Molecular Properties

Compound Name7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride
PubChem CID12870528
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride
SMILESCc1nccn1CCCCCCC(=O)O.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-10-12-7-9-13(10)8-5-3-2-4-6-11(14)15;/h7,9H,2-6,8H2,1H3,(H,14,15);1H
InChIKeyUHKYZSMJEAJRQB-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
8-Imidazol-1-yl-2-methyloctanoic acid;hydrochloride
CID 12870427
1-(6-Imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride
CID 12870429
1-(7-Carboxy-7-hydroxyheptyl)imidazole hydrochloride
CID 12870431
1-(7-Carboxy-7-hydroxymethylheptyl)imidazole hydrochloride
CID 12870433
8-Imidazol-1-yl-2,2-dimethyloctanoic acid;hydrochloride
CID 12870455
8-Imidazol-1-yloct-6-ynoic acid;hydrochloride
CID 12870467
8-Imidazol-1-yl-2,2-dimethyloct-6-ynoic acid;hydrochloride
CID 12870469
1-(7-Carboxy-7-octenyl)imidazole hydrochloride
CID 12870472

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride?
The IUPAC name of 7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride (CID 12870528) is 7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride.
What is the SMILES notation for 7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride?
The canonical SMILES for 7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride is Cc1nccn1CCCCCCC(=O)O.Cl.
What is the InChIKey of 7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride?
The InChIKey is UHKYZSMJEAJRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.ClH/c1-10-12-7-9-13(10)8-5-3-2-4-6-11(14)15;/h7,9H,2-6,8H2,1H3,(H,14,15);1H.
What are the key properties of 7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride?
7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylimidazol-1-yl)heptanoic acid;hydrochloride is sourced from PubChem (CID 12870528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).