3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid

C19H36N2O2 — CID 122611617

IUPAC3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid
SMILESCCCCCCCCCCC1=NCCN1C(CCC)CC(=O)O
InChIInChI=1S/C19H36N2O2/c1-3-5-6-7-8-9-10-11-13-18-20-14-15-21(18)17(12-4-2)16-19(22)23/h17H,3-16H2,1-2H3,(H,22,23)
InChIKeyRUKIKJKXDRWVBI-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.87
Rot. Bonds14

About 3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid

3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid (PubChem CID 122611617) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid.

Molecular Properties

Compound Name3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid
PubChem CID122611617
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid
SMILESCCCCCCCCCCC1=NCCN1C(CCC)CC(=O)O
InChIInChI=1S/C19H36N2O2/c1-3-5-6-7-8-9-10-11-13-18-20-14-15-21(18)17(12-4-2)16-19(22)23/h17H,3-16H2,1-2H3,(H,22,23)
InChIKeyRUKIKJKXDRWVBI-UHFFFAOYSA-N
XLogP4.87
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.87
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

3-(2-octadecyl-4,5-dihydroimidazol-1-yl)pentanoic acid
CID 122613373
2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid
CID 154332783
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003
1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 70256872
N-[1-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]octadecanamide
CID 67907386
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid
CID 57142783
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride
CID 173188481
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67317165
N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide
CID 177084896

Frequently Asked Questions

What is the IUPAC name of 3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid?
The IUPAC name of 3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid (CID 122611617) is 3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid.
What is the SMILES notation for 3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid?
The canonical SMILES for 3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid is CCCCCCCCCCC1=NCCN1C(CCC)CC(=O)O.
What is the InChIKey of 3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid?
The InChIKey is RUKIKJKXDRWVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-3-5-6-7-8-9-10-11-13-18-20-14-15-21(18)17(12-4-2)16-19(22)23/h17H,3-16H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid?
3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid has a molecular weight of 324.51 g/mol, XLogP of 4.87, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid is sourced from PubChem (CID 122611617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).