11-imidazol-1-ylundecanoic acid

C14H24N2O2 — CID 12803317

IUPAC11-imidazol-1-ylundecanoic acid
SMILESO=C(O)CCCCCCCCCCn1ccnc1
InChIInChI=1S/C14H24N2O2/c17-14(18)9-7-5-3-1-2-4-6-8-11-16-12-10-15-13-16/h10,12-13H,1-9,11H2,(H,17,18)
InChIKeyVVDHLRGFVADEBB-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.48
Rot. Bonds11

About 11-imidazol-1-ylundecanoic acid

11-imidazol-1-ylundecanoic acid (PubChem CID 12803317) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 11-imidazol-1-ylundecanoic acid.

Molecular Properties

Compound Name11-imidazol-1-ylundecanoic acid
PubChem CID12803317
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name11-imidazol-1-ylundecanoic acid
SMILESO=C(O)CCCCCCCCCCn1ccnc1
InChIInChI=1S/C14H24N2O2/c17-14(18)9-7-5-3-1-2-4-6-8-11-16-12-10-15-13-16/h10,12-13H,1-9,11H2,(H,17,18)
InChIKeyVVDHLRGFVADEBB-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.48
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

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CID 3055390
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
5-[1-Imidazol-1-ylmethyl-hept-(E)-ylideneaminooxy]-pentanoic acid
CID 10018213
5-[1-Imidazol-1-ylmethyl-hept-(Z)-ylideneaminooxy]-pentanoic acid
CID 10448061
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

Frequently Asked Questions

What is the IUPAC name of 11-imidazol-1-ylundecanoic acid?
The IUPAC name of 11-imidazol-1-ylundecanoic acid (CID 12803317) is 11-imidazol-1-ylundecanoic acid.
What is the SMILES notation for 11-imidazol-1-ylundecanoic acid?
The canonical SMILES for 11-imidazol-1-ylundecanoic acid is O=C(O)CCCCCCCCCCn1ccnc1.
What is the InChIKey of 11-imidazol-1-ylundecanoic acid?
The InChIKey is VVDHLRGFVADEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(18)9-7-5-3-1-2-4-6-8-11-16-12-10-15-13-16/h10,12-13H,1-9,11H2,(H,17,18).
What are the key properties of 11-imidazol-1-ylundecanoic acid?
11-imidazol-1-ylundecanoic acid has a molecular weight of 252.36 g/mol, XLogP of 3.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-imidazol-1-ylundecanoic acid is sourced from PubChem (CID 12803317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).