magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride

C11H11ClMgN2O — CID 59590571

IUPACmagnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride
SMILESCOc1c[c-]ccc1-n1cnc(C)c1.[Cl-].[Mg+2]
InChIInChI=1S/C11H11N2O.ClH.Mg/c1-9-7-13(8-12-9)10-5-3-4-6-11(10)14-2;;/h3,5-8H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyUUNVXGBJKCWBNR-UHFFFAOYSA-M
MW246.98 g/mol
LogP-1.39
Rot. Bonds2

About magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride

magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride (PubChem CID 59590571) has the molecular formula C11H11ClMgN2O and a molecular weight of 246.98 g/mol. Its IUPAC name is magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride.

Molecular Properties

Compound Namemagnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride
PubChem CID59590571
Molecular FormulaC11H11ClMgN2O
Molecular Weight246.98 g/mol
Exact Mass246.04
IUPAC Namemagnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride
SMILESCOc1c[c-]ccc1-n1cnc(C)c1.[Cl-].[Mg+2]
InChIInChI=1S/C11H11N2O.ClH.Mg/c1-9-7-13(8-12-9)10-5-3-4-6-11(10)14-2;;/h3,5-8H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyUUNVXGBJKCWBNR-UHFFFAOYSA-M
XLogP-1.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.98
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-1-[4-(trifluoromethoxy)hexa-1,3,5-trien-3-yl]imidazole
CID 91306652
(3E,5Z)-6-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-5-methoxyhepta-1,3,5-trien-3-amine
CID 169988407
[5-(4-methylimidazol-1-yl)-2H-pyridin-2-id-6-yl]methanol;yttrium
CID 58351056
6-methyl-5-(4-methylimidazol-1-yl)-2H-pyridin-2-ide;yttrium
CID 58351075
6-bromo-3-methoxy-3-(4-methylimidazol-1-yl)-2H-pyridine
CID 71256357
1-(1,5-dimethylimidazol-2-yl)-N-[(1Z,3Z,5Z)-2-methoxyhepta-1,3,5-trienyl]methanimine
CID 89431380
1-(3-Methoxybut-2-en-2-yl)-4-methylimidazole
CID 90702092
1-(3-Methoxy-5-methylhexa-2,4-dien-2-yl)-4-methylimidazole
CID 90746551
5-Methoxy-4-(4-methylimidazol-1-yl)cyclohexa-2,4-dien-1-imine
CID 90868261
N-[1-methoxy-2-(4-methylimidazol-1-yl)buta-1,3-dienyl]methanimine
CID 90959919
1-(8-Methoxy-6-methylocta-1,4,6-trien-3-yl)-4-methylimidazole
CID 91322797
7-(4-Methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine
CID 141396714

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride?
The IUPAC name of magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride (CID 59590571) is magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride.
What is the SMILES notation for magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride?
The canonical SMILES for magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride is COc1c[c-]ccc1-n1cnc(C)c1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride?
The InChIKey is UUNVXGBJKCWBNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11N2O.ClH.Mg/c1-9-7-13(8-12-9)10-5-3-4-6-11(10)14-2;;/h3,5-8H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride?
magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride has a molecular weight of 246.98 g/mol, XLogP of -1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-(2-methoxybenzene-4-id-1-yl)-4-methylimidazole;chloride is sourced from PubChem (CID 59590571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).