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

C10H16N2O2 — CID 12870347

IUPAC7-(1H-imidazol-2-yl)heptanoic acid
SMILESO=C(O)CCCCCCc1ncc[nH]1
InChIInChI=1S/C10H16N2O2/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)
InChIKeyWLLYQUUIXUAJSN-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.99
Rot. Bonds7

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

7-(1H-imidazol-2-yl)heptanoic acid (PubChem CID 12870347) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 7-(1H-imidazol-2-yl)heptanoic acid.

Molecular Properties

Compound Name7-(1H-imidazol-2-yl)heptanoic acid
PubChem CID12870347
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name7-(1H-imidazol-2-yl)heptanoic acid
SMILESO=C(O)CCCCCCc1ncc[nH]1
InChIInChI=1S/C10H16N2O2/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)
InChIKeyWLLYQUUIXUAJSN-UHFFFAOYSA-N
XLogP1.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.99
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?
The IUPAC name of 7-(1H-imidazol-2-yl)heptanoic acid (CID 12870347) is 7-(1H-imidazol-2-yl)heptanoic acid.
What is the SMILES notation for 7-(1H-imidazol-2-yl)heptanoic acid?
The canonical SMILES for 7-(1H-imidazol-2-yl)heptanoic acid is O=C(O)CCCCCCc1ncc[nH]1.
What is the InChIKey of 7-(1H-imidazol-2-yl)heptanoic acid?
The InChIKey is WLLYQUUIXUAJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/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).
What are the key properties of 7-(1H-imidazol-2-yl)heptanoic acid?
7-(1H-imidazol-2-yl)heptanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.99, 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 is sourced from PubChem (CID 12870347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).