12-imidazol-1-yldodecanoic acid

C15H26N2O2 — CID 12803318

IUPAC12-imidazol-1-yldodecanoic acid
SMILESO=C(O)CCCCCCCCCCCn1ccnc1
InChIInChI=1S/C15H26N2O2/c18-15(19)10-8-6-4-2-1-3-5-7-9-12-17-13-11-16-14-17/h11,13-14H,1-10,12H2,(H,18,19)
InChIKeyXMSOPSLXOAQSRQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.87
Rot. Bonds12

About 12-imidazol-1-yldodecanoic acid

12-imidazol-1-yldodecanoic acid (PubChem CID 12803318) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 12-imidazol-1-yldodecanoic acid.

Molecular Properties

Compound Name12-imidazol-1-yldodecanoic acid
PubChem CID12803318
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name12-imidazol-1-yldodecanoic acid
SMILESO=C(O)CCCCCCCCCCCn1ccnc1
InChIInChI=1S/C15H26N2O2/c18-15(19)10-8-6-4-2-1-3-5-7-9-12-17-13-11-16-14-17/h11,13-14H,1-10,12H2,(H,18,19)
InChIKeyXMSOPSLXOAQSRQ-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.87
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

1H-Imidazole-1-butanoic acid
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 12-imidazol-1-yldodecanoic acid?
The IUPAC name of 12-imidazol-1-yldodecanoic acid (CID 12803318) is 12-imidazol-1-yldodecanoic acid.
What is the SMILES notation for 12-imidazol-1-yldodecanoic acid?
The canonical SMILES for 12-imidazol-1-yldodecanoic acid is O=C(O)CCCCCCCCCCCn1ccnc1.
What is the InChIKey of 12-imidazol-1-yldodecanoic acid?
The InChIKey is XMSOPSLXOAQSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(19)10-8-6-4-2-1-3-5-7-9-12-17-13-11-16-14-17/h11,13-14H,1-10,12H2,(H,18,19).
What are the key properties of 12-imidazol-1-yldodecanoic acid?
12-imidazol-1-yldodecanoic acid has a molecular weight of 266.38 g/mol, XLogP of 3.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-imidazol-1-yldodecanoic acid is sourced from PubChem (CID 12803318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).