3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid

C20H38N2O3 — CID 76901246

IUPAC3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
SMILESCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)O
InChIInChI=1S/C20H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-21-14-15-22(19)16-18-25-17-13-20(23)24/h2-18H2,1H3,(H,23,24)
InChIKeyIYRMELFSCDNVJX-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.50
Rot. Bonds17

About 3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid

3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid (PubChem CID 76901246) has the molecular formula C20H38N2O3 and a molecular weight of 354.54 g/mol. Its IUPAC name is 3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
PubChem CID76901246
Molecular FormulaC20H38N2O3
Molecular Weight354.54 g/mol
Exact Mass354.29
IUPAC Name3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
SMILESCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)O
InChIInChI=1S/C20H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-21-14-15-22(19)16-18-25-17-13-20(23)24/h2-18H2,1H3,(H,23,24)
InChIKeyIYRMELFSCDNVJX-UHFFFAOYSA-N
XLogP4.50
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
CID 3023578
2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol
CID 15158289
2-(2-tetradecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate
CID 67791483
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine;octadecanoic acid
CID 70551983
17-[1-(18-decoxy-18-oxooctadecyl)-4,5-dihydroimidazol-2-yl]heptadecanoic acid
CID 67767205
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid
CID 57142783
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
CID 90309566
CID 90309566
N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide
CID 3017980

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid?
The IUPAC name of 3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid (CID 76901246) is 3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid?
The canonical SMILES for 3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid is CCCCCCCCCCCCC1=NCCN1CCOCCC(=O)O.
What is the InChIKey of 3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid?
The InChIKey is IYRMELFSCDNVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-19-21-14-15-22(19)16-18-25-17-13-20(23)24/h2-18H2,1H3,(H,23,24).
What are the key properties of 3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid?
3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid has a molecular weight of 354.54 g/mol, XLogP of 4.50, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid is sourced from PubChem (CID 76901246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).