1H-imidazole;methanamine;dihydrochloride

C5H16Cl2N4 — CID 174740115

IUPAC1H-imidazole;methanamine;dihydrochloride
SMILESCN.CN.Cl.Cl.c1c[nH]cn1
InChIInChI=1S/C3H4N2.2CH5N.2ClH/c1-2-5-3-4-1;2*1-2;;/h1-3H,(H,4,5);2*2H2,1H3;2*1H
InChIKeyZUIIZOCVVHZALJ-UHFFFAOYSA-N
MW203.12 g/mol
LogP0.40
Rot. Bonds

About 1H-imidazole;methanamine;dihydrochloride

1H-imidazole;methanamine;dihydrochloride (PubChem CID 174740115) has the molecular formula C5H16Cl2N4 and a molecular weight of 203.12 g/mol. Its IUPAC name is 1H-imidazole;methanamine;dihydrochloride.

Molecular Properties

Compound Name1H-imidazole;methanamine;dihydrochloride
PubChem CID174740115
Molecular FormulaC5H16Cl2N4
Molecular Weight203.12 g/mol
Exact Mass202.08
IUPAC Name1H-imidazole;methanamine;dihydrochloride
SMILESCN.CN.Cl.Cl.c1c[nH]cn1
InChIInChI=1S/C3H4N2.2CH5N.2ClH/c1-2-5-3-4-1;2*1-2;;/h1-3H,(H,4,5);2*2H2,1H3;2*1H
InChIKeyZUIIZOCVVHZALJ-UHFFFAOYSA-N
XLogP0.40
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;methanamine;dihydrochloride?
The IUPAC name of 1H-imidazole;methanamine;dihydrochloride (CID 174740115) is 1H-imidazole;methanamine;dihydrochloride.
What is the SMILES notation for 1H-imidazole;methanamine;dihydrochloride?
The canonical SMILES for 1H-imidazole;methanamine;dihydrochloride is CN.CN.Cl.Cl.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;methanamine;dihydrochloride?
The InChIKey is ZUIIZOCVVHZALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2CH5N.2ClH/c1-2-5-3-4-1;2*1-2;;/h1-3H,(H,4,5);2*2H2,1H3;2*1H.
What are the key properties of 1H-imidazole;methanamine;dihydrochloride?
1H-imidazole;methanamine;dihydrochloride has a molecular weight of 203.12 g/mol, XLogP of 0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;methanamine;dihydrochloride is sourced from PubChem (CID 174740115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).