chloranium 1H-imidazole

C3H6ClN2+ — CID 172826260

IUPACchloranium 1H-imidazole
SMILES[ClH2+].c1c[nH]cn1
InChIInChI=1S/C3H4N2.ClH2/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H2/q;+1
InChIKeyLGAZBUFVJPCDGB-UHFFFAOYSA-N
MW105.55 g/mol
LogP-0.13
Rot. Bonds

About chloranium 1H-imidazole

chloranium 1H-imidazole (PubChem CID 172826260) has the molecular formula C3H6ClN2+ and a molecular weight of 105.55 g/mol. Its IUPAC name is chloranium 1H-imidazole.

Molecular Properties

Compound Namechloranium 1H-imidazole
PubChem CID172826260
Molecular FormulaC3H6ClN2+
Molecular Weight105.55 g/mol
Exact Mass105.02
IUPAC Namechloranium 1H-imidazole
SMILES[ClH2+].c1c[nH]cn1
InChIInChI=1S/C3H4N2.ClH2/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H2/q;+1
InChIKeyLGAZBUFVJPCDGB-UHFFFAOYSA-N
XLogP-0.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.55
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of chloranium 1H-imidazole?
The IUPAC name of chloranium 1H-imidazole (CID 172826260) is chloranium 1H-imidazole.
What is the SMILES notation for chloranium 1H-imidazole?
The canonical SMILES for chloranium 1H-imidazole is [ClH2+].c1c[nH]cn1.
What is the InChIKey of chloranium 1H-imidazole?
The InChIKey is LGAZBUFVJPCDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.ClH2/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H2/q;+1.
What are the key properties of chloranium 1H-imidazole?
chloranium 1H-imidazole has a molecular weight of 105.55 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloranium 1H-imidazole is sourced from PubChem (CID 172826260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).