2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid

C22H42N2O2 — CID 57142783

IUPAC2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1CC(=O)O
InChIInChI=1S/C22H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-18-19-24(21)20-22(25)26/h2-20H2,1H3,(H,25,26)
InChIKeyCWOLHXOFHDPLQW-UHFFFAOYSA-N
MW366.59 g/mol
LogP6.05
Rot. Bonds18

About 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid

2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid (PubChem CID 57142783) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid
PubChem CID57142783
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC Name2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1CC(=O)O
InChIInChI=1S/C22H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-18-19-24(21)20-22(25)26/h2-20H2,1H3,(H,25,26)
InChIKeyCWOLHXOFHDPLQW-UHFFFAOYSA-N
XLogP6.05
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.05
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

2-(2-hexadecyl-4,5-dihydroimidazol-1-yl)acetic acid;2-(trimethylazaniumyl)acetate
CID 20538035
sodium 2-(2-dodecyl-4,5-dihydroimidazol-1-yl)acetate
CID 175814097
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
acetic acid;1-(2-octadecyl-4,5-dihydroimidazol-1-yl)icosan-3-one
CID 173436266
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine;octadecanoic acid
CID 70551983
(2-pentyl-4,5-dihydroimidazol-1-yl)methanamine
CID 69018271
3-[2-(2-dodecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
CID 76901246
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67710021
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid (CID 57142783) is 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid is CCCCCCCCCCCCCCCCCC1=NCCN1CC(=O)O.
What is the InChIKey of 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid?
The InChIKey is CWOLHXOFHDPLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-18-19-24(21)20-22(25)26/h2-20H2,1H3,(H,25,26).
What are the key properties of 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid?
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid has a molecular weight of 366.59 g/mol, XLogP of 6.05, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid is sourced from PubChem (CID 57142783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).