1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole

C7H14N2O — CID 45087930

IUPAC1-(2-ethoxyethyl)-4,5-dihydroimidazole
SMILESCCOCCN1CCN=C1
InChIInChI=1S/C7H14N2O/c1-2-10-6-5-9-4-3-8-7-9/h7H,2-6H2,1H3
InChIKeyHHWJDIFNKCHHTI-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.40
Rot. Bonds4

About 1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole

1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole (PubChem CID 45087930) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole
PubChem CID45087930
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(2-ethoxyethyl)-4,5-dihydroimidazole
SMILESCCOCCN1CCN=C1
InChIInChI=1S/C7H14N2O/c1-2-10-6-5-9-4-3-8-7-9/h7H,2-6H2,1H3
InChIKeyHHWJDIFNKCHHTI-UHFFFAOYSA-N
XLogP-0.40
TPSA24.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity114

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyethyl)-4,5-dihydroimidazole
CID 11629606
2,3,7,7a-Tetrahydroimidazo[5,1-b]oxazole
CID 129799305
N,N-diethyl-4,5-dihydro-1,3-oxazol-2-amine
CID 12074436
2-(Ethoxymethyl)-1-methyl-4,5-dihydroimidazole
CID 22238577
2-(Methoxymethyl)-1-methyl-4,5-dihydroimidazole
CID 53654549
2-(4,5-Dihydroimidazol-1-yl)-4,5-dihydro-1,3-oxazole
CID 57009020
1-(2-Methoxyethyl)-4,5-dihydroimidazol-2-amine
CID 57054713
1,3-Bis[2-(2-methoxyethoxy)ethyl]-4,5-dihydroimidazol-1-ium
CID 57246999
N-methyl-1-morpholin-4-ylmethanimine
CID 57536775
1-(2-Methoxyethyl)-2-methyl-4,5-dihydroimidazole
CID 59010136
4-Methoxy-1,2,3-trimethyl-4,5-dihydroimidazol-1-ium
CID 67521856
1-(2-Methoxyethyl)-4,5-dihydroimidazole;hydrochloride
CID 68123516

Frequently Asked Questions

What is the IUPAC name of 1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole (CID 45087930) is 1-(2-ethoxyethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole is CCOCCN1CCN=C1.
What is the InChIKey of 1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is HHWJDIFNKCHHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-10-6-5-9-4-3-8-7-9/h7H,2-6H2,1H3.
What are the key properties of 1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole?
1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 142.20 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Ethoxyethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 45087930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).