sodium;4H-imidazole;chloride

C3H4ClN2Na — CID 20553853

IUPACsodium;4H-imidazole;chloride
SMILESC1=NC=NC1.[Cl-].[Na+]
InChIInChI=1S/C3H4N2.ClH.Na/c1-2-5-3-4-1;;/h1,3H,2H2;1H;/q;;+1/p-1
InChIKeyYIQNZILVHBAFER-UHFFFAOYSA-M
MW126.52 g/mol
LogP-5.89
Rot. Bonds

About sodium;4H-imidazole;chloride

sodium;4H-imidazole;chloride (PubChem CID 20553853) has the molecular formula C3H4ClN2Na and a molecular weight of 126.52 g/mol. Its IUPAC name is sodium;4H-imidazole;chloride.

Molecular Properties

Compound Namesodium;4H-imidazole;chloride
PubChem CID20553853
Molecular FormulaC3H4ClN2Na
Molecular Weight126.52 g/mol
Exact Mass126.00
IUPAC Namesodium;4H-imidazole;chloride
SMILESC1=NC=NC1.[Cl-].[Na+]
InChIInChI=1S/C3H4N2.ClH.Na/c1-2-5-3-4-1;;/h1,3H,2H2;1H;/q;;+1/p-1
InChIKeyYIQNZILVHBAFER-UHFFFAOYSA-M
XLogP-5.89
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.52
LogP ≤ 5-5.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;4H-imidazole;chloride?
The IUPAC name of sodium;4H-imidazole;chloride (CID 20553853) is sodium;4H-imidazole;chloride.
What is the SMILES notation for sodium;4H-imidazole;chloride?
The canonical SMILES for sodium;4H-imidazole;chloride is C1=NC=NC1.[Cl-].[Na+].
What is the InChIKey of sodium;4H-imidazole;chloride?
The InChIKey is YIQNZILVHBAFER-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N2.ClH.Na/c1-2-5-3-4-1;;/h1,3H,2H2;1H;/q;;+1/p-1.
What are the key properties of sodium;4H-imidazole;chloride?
sodium;4H-imidazole;chloride has a molecular weight of 126.52 g/mol, XLogP of -5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4H-imidazole;chloride is sourced from PubChem (CID 20553853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).