2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid

C17H30N2O4 — CID 154332783

IUPAC2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid
SMILESCCCCCCCCCCCC1=NCCN1C(C(=O)O)C(=O)O
InChIInChI=1S/C17H30N2O4/c1-2-3-4-5-6-7-8-9-10-11-14-18-12-13-19(14)15(16(20)21)17(22)23/h15H,2-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyZVIBKFFBBKHGPV-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.16
Rot. Bonds13

About 2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid

2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid (PubChem CID 154332783) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid.

Molecular Properties

Compound Name2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid
PubChem CID154332783
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid
SMILESCCCCCCCCCCCC1=NCCN1C(C(=O)O)C(=O)O
InChIInChI=1S/C17H30N2O4/c1-2-3-4-5-6-7-8-9-10-11-14-18-12-13-19(14)15(16(20)21)17(22)23/h15H,2-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyZVIBKFFBBKHGPV-UHFFFAOYSA-N
XLogP3.16
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-octadecyl-4,5-dihydroimidazol-1-yl)pentanoic acid
CID 122613373
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
3-(2-decyl-4,5-dihydroimidazol-1-yl)hexanoic acid
CID 122611617
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003
1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 70256872
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
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-[(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
N-[1-(2-dodecyl-4,5-dihydroimidazol-1-yl)propyl]dodecanamide;hydrochloride
CID 173188481

Frequently Asked Questions

What is the IUPAC name of 2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid?
The IUPAC name of 2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid (CID 154332783) is 2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid.
What is the SMILES notation for 2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid?
The canonical SMILES for 2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid is CCCCCCCCCCCC1=NCCN1C(C(=O)O)C(=O)O.
What is the InChIKey of 2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid?
The InChIKey is ZVIBKFFBBKHGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-2-3-4-5-6-7-8-9-10-11-14-18-12-13-19(14)15(16(20)21)17(22)23/h15H,2-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid?
2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid has a molecular weight of 326.44 g/mol, XLogP of 3.16, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid is sourced from PubChem (CID 154332783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).