1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride

C8H14Cl2N4 — CID 162000290

IUPAC1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride
SMILESCC1=NC=C[NH2+]1.C[NH+]1C=CN=C1.[Cl-].[Cl-]
InChIInChI=1S/2C4H6N2.2ClH/c1-6-3-2-5-4-6;1-4-5-2-3-6-4;;/h2-4H,1H3;2-3H,1H3,(H,5,6);2*1H
InChIKeyYSCRDIZXXCFYBE-UHFFFAOYSA-N
MW237.13 g/mol
LogP-7.52
Rot. Bonds

About 1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride

1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride (PubChem CID 162000290) has the molecular formula C8H14Cl2N4 and a molecular weight of 237.13 g/mol. Its IUPAC name is 1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride.

Molecular Properties

Compound Name1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride
PubChem CID162000290
Molecular FormulaC8H14Cl2N4
Molecular Weight237.13 g/mol
Exact Mass236.06
IUPAC Name1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride
SMILESCC1=NC=C[NH2+]1.C[NH+]1C=CN=C1.[Cl-].[Cl-]
InChIInChI=1S/2C4H6N2.2ClH/c1-6-3-2-5-4-6;1-4-5-2-3-6-4;;/h2-4H,1H3;2-3H,1H3,(H,5,6);2*1H
InChIKeyYSCRDIZXXCFYBE-UHFFFAOYSA-N
XLogP-7.52
TPSA45.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 5-7.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride?
The IUPAC name of 1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride (CID 162000290) is 1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride.
What is the SMILES notation for 1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride?
The canonical SMILES for 1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride is CC1=NC=C[NH2+]1.C[NH+]1C=CN=C1.[Cl-].[Cl-].
What is the InChIKey of 1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride?
The InChIKey is YSCRDIZXXCFYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2.2ClH/c1-6-3-2-5-4-6;1-4-5-2-3-6-4;;/h2-4H,1H3;2-3H,1H3,(H,5,6);2*1H.
What are the key properties of 1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride?
1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride has a molecular weight of 237.13 g/mol, XLogP of -7.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1H-imidazol-1-ium;2-methyl-1H-imidazol-1-ium;dichloride is sourced from PubChem (CID 162000290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).