5-(1-ethoxyethenyl)-1H-imidazole

C7H10N2O — CID 67268300

IUPAC5-(1-ethoxyethenyl)-1H-imidazole
SMILESC=C(OCC)c1cnc[nH]1
InChIInChI=1S/C7H10N2O/c1-3-10-6(2)7-4-8-5-9-7/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyIYOPPMZOAHRAKA-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.42
Rot. Bonds3

About 5-(1-ethoxyethenyl)-1H-imidazole

5-(1-ethoxyethenyl)-1H-imidazole (PubChem CID 67268300) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-(1-ethoxyethenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(1-ethoxyethenyl)-1H-imidazole
PubChem CID67268300
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-(1-ethoxyethenyl)-1H-imidazole
SMILESC=C(OCC)c1cnc[nH]1
InChIInChI=1S/C7H10N2O/c1-3-10-6(2)7-4-8-5-9-7/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyIYOPPMZOAHRAKA-UHFFFAOYSA-N
XLogP1.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 1H-imidazole-5-carboxylate;molecular hydrogen
CID 164601521
butyl 1H-imidazole-5-carboxylate
CID 22988126
ethane;1-(1H-imidazol-5-yl)propan-1-one
CID 145105684
N,N-diethylethanamine;1H-imidazole-5-carboxamide
CID 68977310
5-buta-1,3-dien-2-yl-1H-imidazole
CID 121420097
2-(1-ethoxyethenyl)-5-methylpyrimidine
CID 14321001
ethyl 3-[cyclopentyl(1H-imidazole-5-carbonyl)amino]propanoate
CID 141002152
N,N-diethyl-3-(1H-imidazol-5-yl)-3-oxopropanamide
CID 22925154
3-(1-ethoxyethenyl)-2,5-dimethylpyrazine
CID 169267308
4-(1-ethoxyethenyl)-1H-pyrazol-5-amine
CID 143550439
hydroxylamine;5-methyl-1H-imidazole
CID 142408820
ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 110475404

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethenyl)-1H-imidazole?
The IUPAC name of 5-(1-ethoxyethenyl)-1H-imidazole (CID 67268300) is 5-(1-ethoxyethenyl)-1H-imidazole.
What is the SMILES notation for 5-(1-ethoxyethenyl)-1H-imidazole?
The canonical SMILES for 5-(1-ethoxyethenyl)-1H-imidazole is C=C(OCC)c1cnc[nH]1.
What is the InChIKey of 5-(1-ethoxyethenyl)-1H-imidazole?
The InChIKey is IYOPPMZOAHRAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-10-6(2)7-4-8-5-9-7/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of 5-(1-ethoxyethenyl)-1H-imidazole?
5-(1-ethoxyethenyl)-1H-imidazole has a molecular weight of 138.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethenyl)-1H-imidazole is sourced from PubChem (CID 67268300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).