2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid

C19H34N2O4 — CID 156786256

IUPAC2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid
SMILESCCCCCCCCCCCCOC(=O)CN1CCN=C1CC(=O)O
InChIInChI=1S/C19H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-14-25-19(24)16-21-13-12-20-17(21)15-18(22)23/h2-16H2,1H3,(H,22,23)
InChIKeyMZHSIDWQWMSUST-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.64
Rot. Bonds15

About 2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid

2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid (PubChem CID 156786256) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid
PubChem CID156786256
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid
SMILESCCCCCCCCCCCCOC(=O)CN1CCN=C1CC(=O)O
InChIInChI=1S/C19H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-14-25-19(24)16-21-13-12-20-17(21)15-18(22)23/h2-16H2,1H3,(H,22,23)
InChIKeyMZHSIDWQWMSUST-UHFFFAOYSA-N
XLogP3.64
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

17-[1-(18-decoxy-18-oxooctadecyl)-4,5-dihydroimidazol-2-yl]heptadecanoic acid
CID 67767205
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid
CID 57142783
2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate
CID 67791483
nonyl 2-(2-oxopyrrolidin-1-yl)acetate
CID 10778404
2-(2-hexadecyl-4,5-dihydroimidazol-1-yl)acetic acid;2-(trimethylazaniumyl)acetate
CID 20538035
octyl propanoate;propanoic acid
CID 87090257
butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate
CID 54979342
azane;dodecyl propanoate;propanoic acid
CID 87327250
2-(2-oxo-2-tetradecoxyethyl)sulfanylacetic acid
CID 142736285
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid (CID 156786256) is 2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid is CCCCCCCCCCCCOC(=O)CN1CCN=C1CC(=O)O.
What is the InChIKey of 2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid?
The InChIKey is MZHSIDWQWMSUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-14-25-19(24)16-21-13-12-20-17(21)15-18(22)23/h2-16H2,1H3,(H,22,23).
What are the key properties of 2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid?
2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid has a molecular weight of 354.49 g/mol, XLogP of 3.64, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-dodecoxy-2-oxoethyl)-4,5-dihydroimidazol-2-yl]acetic acid is sourced from PubChem (CID 156786256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).