10-imidazol-1-yldecanoic acid

C13H22N2O2 — CID 12803316

IUPAC10-imidazol-1-yldecanoic acid
SMILESO=C(O)CCCCCCCCCn1ccnc1
InChIInChI=1S/C13H22N2O2/c16-13(17)8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h9,11-12H,1-8,10H2,(H,16,17)
InChIKeyDOJPUPKORVKCJK-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.09
Rot. Bonds10

About 10-imidazol-1-yldecanoic acid

10-imidazol-1-yldecanoic acid (PubChem CID 12803316) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 10-imidazol-1-yldecanoic acid.

Molecular Properties

Compound Name10-imidazol-1-yldecanoic acid
PubChem CID12803316
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name10-imidazol-1-yldecanoic acid
SMILESO=C(O)CCCCCCCCCn1ccnc1
InChIInChI=1S/C13H22N2O2/c16-13(17)8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h9,11-12H,1-8,10H2,(H,16,17)
InChIKeyDOJPUPKORVKCJK-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.09
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 10-imidazol-1-yldecanoic acid?
The IUPAC name of 10-imidazol-1-yldecanoic acid (CID 12803316) is 10-imidazol-1-yldecanoic acid.
What is the SMILES notation for 10-imidazol-1-yldecanoic acid?
The canonical SMILES for 10-imidazol-1-yldecanoic acid is O=C(O)CCCCCCCCCn1ccnc1.
What is the InChIKey of 10-imidazol-1-yldecanoic acid?
The InChIKey is DOJPUPKORVKCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(17)8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h9,11-12H,1-8,10H2,(H,16,17).
What are the key properties of 10-imidazol-1-yldecanoic acid?
10-imidazol-1-yldecanoic acid has a molecular weight of 238.33 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-imidazol-1-yldecanoic acid is sourced from PubChem (CID 12803316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).