7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride

C10H17ClN2O2 — CID 12870348

IUPAC7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCCc1ncc[nH]1
InChIInChI=1S/C10H16N2O2.ClH/c13-10(14)6-4-2-1-3-5-9-11-7-8-12-9;/h7-8H,1-6H2,(H,11,12)(H,13,14);1H
InChIKeyDUJLNTCUPVSTSB-UHFFFAOYSA-N
MW232.71 g/mol
LogP2.41
Rot. Bonds7

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

7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride (PubChem CID 12870348) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride.

Molecular Properties

Compound Name7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride
PubChem CID12870348
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCCCc1ncc[nH]1
InChIInChI=1S/C10H16N2O2.ClH/c13-10(14)6-4-2-1-3-5-9-11-7-8-12-9;/h7-8H,1-6H2,(H,11,12)(H,13,14);1H
InChIKeyDUJLNTCUPVSTSB-UHFFFAOYSA-N
XLogP2.41
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride?
The IUPAC name of 7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride (CID 12870348) is 7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride.
What is the SMILES notation for 7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride?
The canonical SMILES for 7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride is Cl.O=C(O)CCCCCCc1ncc[nH]1.
What is the InChIKey of 7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride?
The InChIKey is DUJLNTCUPVSTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.ClH/c13-10(14)6-4-2-1-3-5-9-11-7-8-12-9;/h7-8H,1-6H2,(H,11,12)(H,13,14);1H.
What are the key properties of 7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride?
7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-imidazol-2-yl)heptanoic acid;hydrochloride is sourced from PubChem (CID 12870348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).