8-(1H-imidazol-2-yl)octanoic acid

C11H18N2O2 — CID 54224671

IUPAC8-(1H-imidazol-2-yl)octanoic acid
SMILESO=C(O)CCCCCCCc1ncc[nH]1
InChIInChI=1S/C11H18N2O2/c14-11(15)7-5-3-1-2-4-6-10-12-8-9-13-10/h8-9H,1-7H2,(H,12,13)(H,14,15)
InChIKeyQFAFPXDMLVLRHS-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.38
Rot. Bonds8

About 8-(1H-imidazol-2-yl)octanoic acid

8-(1H-imidazol-2-yl)octanoic acid (PubChem CID 54224671) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 8-(1H-imidazol-2-yl)octanoic acid.

Molecular Properties

Compound Name8-(1H-imidazol-2-yl)octanoic acid
PubChem CID54224671
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name8-(1H-imidazol-2-yl)octanoic acid
SMILESO=C(O)CCCCCCCc1ncc[nH]1
InChIInChI=1S/C11H18N2O2/c14-11(15)7-5-3-1-2-4-6-10-12-8-9-13-10/h8-9H,1-7H2,(H,12,13)(H,14,15)
InChIKeyQFAFPXDMLVLRHS-UHFFFAOYSA-N
XLogP2.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.38
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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Related Compounds

1H-Imidazole-1-octanoic acid
CID 125737
3-(1H-Imidazol-2-yl)propanoic acid
CID 18320517
8-Imidazol-1-yloctanoic acid hydrochloride
CID 12870425
7-Imidazol-1-ylheptanoic acid;hydrochloride
CID 12870526
3-(1H-imidazol-2-yl)propanoic acid hydrochloride
CID 50998247
10-(1H-imidazol-1-yl)decanoic acid
CID 12803316
12-(1H-imidazol-1-yl)dodecanoic acid
CID 12803318
Bis(2-heptadecyl-1H-imidazole-N3)bis(octanoato-O)nickel
CID 173145
12-Imidazolyl-1-dodecanol
CID 25269122
2-Amino-8-imidazol-1-yloctanoic acid;hydrochloride
CID 12870512
7-(2-Methylimidazol-1-yl)heptanoic acid;hydrochloride
CID 12870528
12-(1-Methylimidazol-2-yl)dodecanoic acid
CID 454102

Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-2-yl)octanoic acid?
The IUPAC name of 8-(1H-imidazol-2-yl)octanoic acid (CID 54224671) is 8-(1H-imidazol-2-yl)octanoic acid.
What is the SMILES notation for 8-(1H-imidazol-2-yl)octanoic acid?
The canonical SMILES for 8-(1H-imidazol-2-yl)octanoic acid is O=C(O)CCCCCCCc1ncc[nH]1.
What is the InChIKey of 8-(1H-imidazol-2-yl)octanoic acid?
The InChIKey is QFAFPXDMLVLRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-11(15)7-5-3-1-2-4-6-10-12-8-9-13-10/h8-9H,1-7H2,(H,12,13)(H,14,15).
What are the key properties of 8-(1H-imidazol-2-yl)octanoic acid?
8-(1H-imidazol-2-yl)octanoic acid has a molecular weight of 210.28 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazol-2-yl)octanoic acid is sourced from PubChem (CID 54224671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).