sodium;2-methyl-1H-imidazole;chloride

C4H6ClN2Na — CID 174938695

IUPACsodium;2-methyl-1H-imidazole;chloride
SMILESCc1ncc[nH]1.[Cl-].[Na+]
InChIInChI=1S/C4H6N2.ClH.Na/c1-4-5-2-3-6-4;;/h2-3H,1H3,(H,5,6);1H;/q;;+1/p-1
InChIKeyQSSKXVYJOCLYNE-UHFFFAOYSA-M
MW140.55 g/mol
LogP-5.27
Rot. Bonds

About sodium;2-methyl-1H-imidazole;chloride

sodium;2-methyl-1H-imidazole;chloride (PubChem CID 174938695) has the molecular formula C4H6ClN2Na and a molecular weight of 140.55 g/mol. Its IUPAC name is sodium;2-methyl-1H-imidazole;chloride.

Molecular Properties

Compound Namesodium;2-methyl-1H-imidazole;chloride
PubChem CID174938695
Molecular FormulaC4H6ClN2Na
Molecular Weight140.55 g/mol
Exact Mass140.01
IUPAC Namesodium;2-methyl-1H-imidazole;chloride
SMILESCc1ncc[nH]1.[Cl-].[Na+]
InChIInChI=1S/C4H6N2.ClH.Na/c1-4-5-2-3-6-4;;/h2-3H,1H3,(H,5,6);1H;/q;;+1/p-1
InChIKeyQSSKXVYJOCLYNE-UHFFFAOYSA-M
XLogP-5.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.55
LogP ≤ 5-5.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium;2-methyl-1H-imidazole;chloride?
The IUPAC name of sodium;2-methyl-1H-imidazole;chloride (CID 174938695) is sodium;2-methyl-1H-imidazole;chloride.
What is the SMILES notation for sodium;2-methyl-1H-imidazole;chloride?
The canonical SMILES for sodium;2-methyl-1H-imidazole;chloride is Cc1ncc[nH]1.[Cl-].[Na+].
What is the InChIKey of sodium;2-methyl-1H-imidazole;chloride?
The InChIKey is QSSKXVYJOCLYNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6N2.ClH.Na/c1-4-5-2-3-6-4;;/h2-3H,1H3,(H,5,6);1H;/q;;+1/p-1.
What are the key properties of sodium;2-methyl-1H-imidazole;chloride?
sodium;2-methyl-1H-imidazole;chloride has a molecular weight of 140.55 g/mol, XLogP of -5.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-methyl-1H-imidazole;chloride is sourced from PubChem (CID 174938695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).