N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride

C5H9Cl2N3O — CID 158093289

IUPACN-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride
SMILESC=NOCc1ncc[nH]1.Cl.Cl
InChIInChI=1S/C5H7N3O.2ClH/c1-6-9-4-5-7-2-3-8-5;;/h2-3H,1,4H2,(H,7,8);2*1H
InChIKeyDNKXQVIJEMFFAO-UHFFFAOYSA-N
MW198.05 g/mol
LogP1.39
Rot. Bonds3

About N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride

N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride (PubChem CID 158093289) has the molecular formula C5H9Cl2N3O and a molecular weight of 198.05 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride
PubChem CID158093289
Molecular FormulaC5H9Cl2N3O
Molecular Weight198.05 g/mol
Exact Mass197.01
IUPAC NameN-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride
SMILESC=NOCc1ncc[nH]1.Cl.Cl
InChIInChI=1S/C5H7N3O.2ClH/c1-6-9-4-5-7-2-3-8-5;;/h2-3H,1,4H2,(H,7,8);2*1H
InChIKeyDNKXQVIJEMFFAO-UHFFFAOYSA-N
XLogP1.39
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(sulfanyloxymethyl)-1H-imidazole
CID 170244271
2-(1-bromoethoxymethyl)-1H-imidazole
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2-(fluoromethyl)-1H-imidazole;hydrochloride
CID 70625153
1H-imidazol-2-ylmethyl carbamate
CID 23172617
2-(1H-imidazol-2-ylmethoxy)acetic acid
CID 19766370
2-[(2-iodophenoxy)methyl]-1H-imidazole
CID 54027628
ethane;2-ethyl-1H-imidazole
CID 144736598
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-prop-2-enyl-1H-imidazole;silane
CID 174842331
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride?
The IUPAC name of N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride (CID 158093289) is N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride.
What is the SMILES notation for N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride?
The canonical SMILES for N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride is C=NOCc1ncc[nH]1.Cl.Cl.
What is the InChIKey of N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride?
The InChIKey is DNKXQVIJEMFFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.2ClH/c1-6-9-4-5-7-2-3-8-5;;/h2-3H,1,4H2,(H,7,8);2*1H.
What are the key properties of N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride?
N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride has a molecular weight of 198.05 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride is sourced from PubChem (CID 158093289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).