10-(1-methylimidazol-2-yl)decanoic acid

C14H24N2O2 — CID 69479217

IUPAC10-(1-methylimidazol-2-yl)decanoic acid
SMILESCn1ccnc1CCCCCCCCCC(=O)O
InChIInChI=1S/C14H24N2O2/c1-16-12-11-15-13(16)9-7-5-3-2-4-6-8-10-14(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyDLTBHOOADWUCHP-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.17
Rot. Bonds10

About 10-(1-methylimidazol-2-yl)decanoic acid

10-(1-methylimidazol-2-yl)decanoic acid (PubChem CID 69479217) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 10-(1-methylimidazol-2-yl)decanoic acid.

Molecular Properties

Compound Name10-(1-methylimidazol-2-yl)decanoic acid
PubChem CID69479217
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name10-(1-methylimidazol-2-yl)decanoic acid
SMILESCn1ccnc1CCCCCCCCCC(=O)O
InChIInChI=1S/C14H24N2O2/c1-16-12-11-15-13(16)9-7-5-3-2-4-6-8-10-14(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyDLTBHOOADWUCHP-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.17
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

4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
1-cyclopropyl-5-(1-methylimidazol-2-yl)pentan-1-one
CID 114532079
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-dodecyl-1-methylimidazole;prop-2-enoic acid
CID 175068688
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
1-(1-methylimidazol-2-yl)heptan-4-one
CID 79761318
(Z)-but-2-enedioic acid;2-butyl-1-methylimidazole
CID 174928175
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propanoic acid
CID 117362604
6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 106677652

Frequently Asked Questions

What is the IUPAC name of 10-(1-methylimidazol-2-yl)decanoic acid?
The IUPAC name of 10-(1-methylimidazol-2-yl)decanoic acid (CID 69479217) is 10-(1-methylimidazol-2-yl)decanoic acid.
What is the SMILES notation for 10-(1-methylimidazol-2-yl)decanoic acid?
The canonical SMILES for 10-(1-methylimidazol-2-yl)decanoic acid is Cn1ccnc1CCCCCCCCCC(=O)O.
What is the InChIKey of 10-(1-methylimidazol-2-yl)decanoic acid?
The InChIKey is DLTBHOOADWUCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16-12-11-15-13(16)9-7-5-3-2-4-6-8-10-14(17)18/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 10-(1-methylimidazol-2-yl)decanoic acid?
10-(1-methylimidazol-2-yl)decanoic acid has a molecular weight of 252.36 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-methylimidazol-2-yl)decanoic acid is sourced from PubChem (CID 69479217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).