1H-imidazole;tetrahydrochloride

C3H8Cl4N2 — CID 141350371

IUPAC1H-imidazole;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1c[nH]cn1
InChIInChI=1S/C3H4N2.4ClH/c1-2-5-3-4-1;;;;/h1-3H,(H,4,5);4*1H
InChIKeySMDSHVKVIXQQKR-UHFFFAOYSA-N
MW213.92 g/mol
LogP2.10
Rot. Bonds

About 1H-imidazole;tetrahydrochloride

1H-imidazole;tetrahydrochloride (PubChem CID 141350371) has the molecular formula C3H8Cl4N2 and a molecular weight of 213.92 g/mol. Its IUPAC name is 1H-imidazole;tetrahydrochloride.

Molecular Properties

Compound Name1H-imidazole;tetrahydrochloride
PubChem CID141350371
Molecular FormulaC3H8Cl4N2
Molecular Weight213.92 g/mol
Exact Mass211.94
IUPAC Name1H-imidazole;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1c[nH]cn1
InChIInChI=1S/C3H4N2.4ClH/c1-2-5-3-4-1;;;;/h1-3H,(H,4,5);4*1H
InChIKeySMDSHVKVIXQQKR-UHFFFAOYSA-N
XLogP2.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.92
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;tetrahydrochloride?
The IUPAC name of 1H-imidazole;tetrahydrochloride (CID 141350371) is 1H-imidazole;tetrahydrochloride.
What is the SMILES notation for 1H-imidazole;tetrahydrochloride?
The canonical SMILES for 1H-imidazole;tetrahydrochloride is Cl.Cl.Cl.Cl.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;tetrahydrochloride?
The InChIKey is SMDSHVKVIXQQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.4ClH/c1-2-5-3-4-1;;;;/h1-3H,(H,4,5);4*1H.
What are the key properties of 1H-imidazole;tetrahydrochloride?
1H-imidazole;tetrahydrochloride has a molecular weight of 213.92 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;tetrahydrochloride is sourced from PubChem (CID 141350371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).