2-(ethenoxymethyl)-1H-imidazole

C6H8N2O — CID 66899006

IUPAC2-(ethenoxymethyl)-1H-imidazole
SMILESC=COCc1ncc[nH]1
InChIInChI=1S/C6H8N2O/c1-2-9-5-6-7-3-4-8-6/h2-4H,1,5H2,(H,7,8)
InChIKeyVVVLCQMZGHHNIR-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.07
Rot. Bonds3

About 2-(ethenoxymethyl)-1H-imidazole

2-(ethenoxymethyl)-1H-imidazole (PubChem CID 66899006) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(ethenoxymethyl)-1H-imidazole
PubChem CID66899006
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-(ethenoxymethyl)-1H-imidazole
SMILESC=COCc1ncc[nH]1
InChIInChI=1S/C6H8N2O/c1-2-9-5-6-7-3-4-8-6/h2-4H,1,5H2,(H,7,8)
InChIKeyVVVLCQMZGHHNIR-UHFFFAOYSA-N
XLogP1.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.07
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

2-Methylimidazole
CID 12749
1H-Imidazole-2-methanol
CID 566830
ethyl 1H-imidazole-2-carboxylate
CID 549404
1H-imidazole-2-carbaldehyde
CID 24955
1-(1H-imidazol-2-yl)ethan-1-ol
CID 15055958
1H-Imidazole, 2-(diethoxymethyl)-
CID 566401
2-aminomethyl-1H-imidazole
CID 1382041
(1H-imidazol-2-yl)methanol hydrochloride
CID 2776278
((1H-imidazol-2-yl)methyl)dimethylamine
CID 11457689
2-(1H-imidazol-2-yl)ethan-1-ol
CID 15016080
2-(ethoxymethyl)-1H-imidazole
CID 15043882
2-(Methoxymethyl)-1H-imidazole
CID 15043884

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-1H-imidazole?
The IUPAC name of 2-(ethenoxymethyl)-1H-imidazole (CID 66899006) is 2-(ethenoxymethyl)-1H-imidazole.
What is the SMILES notation for 2-(ethenoxymethyl)-1H-imidazole?
The canonical SMILES for 2-(ethenoxymethyl)-1H-imidazole is C=COCc1ncc[nH]1.
What is the InChIKey of 2-(ethenoxymethyl)-1H-imidazole?
The InChIKey is VVVLCQMZGHHNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-9-5-6-7-3-4-8-6/h2-4H,1,5H2,(H,7,8).
What are the key properties of 2-(ethenoxymethyl)-1H-imidazole?
2-(ethenoxymethyl)-1H-imidazole has a molecular weight of 124.14 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-1H-imidazole is sourced from PubChem (CID 66899006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).