10-(1H-imidazol-2-yl)decanoic acid

C13H22N2O2 — CID 54070073

IUPAC10-(1H-imidazol-2-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C13H22N2O2/c16-13(17)9-7-5-3-1-2-4-6-8-12-14-10-11-15-12/h10-11H,1-9H2,(H,14,15)(H,16,17)
InChIKeyMFUPTVMIXYRLNQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.16
Rot. Bonds10

About 10-(1H-imidazol-2-yl)decanoic acid

10-(1H-imidazol-2-yl)decanoic acid (PubChem CID 54070073) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 10-(1H-imidazol-2-yl)decanoic acid.

Molecular Properties

Compound Name10-(1H-imidazol-2-yl)decanoic acid
PubChem CID54070073
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name10-(1H-imidazol-2-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCc1ncc[nH]1
InChIInChI=1S/C13H22N2O2/c16-13(17)9-7-5-3-1-2-4-6-8-12-14-10-11-15-12/h10-11H,1-9H2,(H,14,15)(H,16,17)
InChIKeyMFUPTVMIXYRLNQ-UHFFFAOYSA-N
XLogP3.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 10-(1H-imidazol-2-yl)decanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(1H-imidazol-2-yl)decanoic acid?
The IUPAC name of 10-(1H-imidazol-2-yl)decanoic acid (CID 54070073) is 10-(1H-imidazol-2-yl)decanoic acid.
What is the SMILES notation for 10-(1H-imidazol-2-yl)decanoic acid?
The canonical SMILES for 10-(1H-imidazol-2-yl)decanoic acid is O=C(O)CCCCCCCCCc1ncc[nH]1.
What is the InChIKey of 10-(1H-imidazol-2-yl)decanoic acid?
The InChIKey is MFUPTVMIXYRLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(17)9-7-5-3-1-2-4-6-8-12-14-10-11-15-12/h10-11H,1-9H2,(H,14,15)(H,16,17).
What are the key properties of 10-(1H-imidazol-2-yl)decanoic acid?
10-(1H-imidazol-2-yl)decanoic acid has a molecular weight of 238.33 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1H-imidazol-2-yl)decanoic acid is sourced from PubChem (CID 54070073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).