1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride

C4H10ClN3 — CID 19426873

IUPAC1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCN1CCN=C1N.Cl
InChIInChI=1S/C4H9N3.ClH/c1-7-3-2-6-4(7)5;/h2-3H2,1H3,(H2,5,6);1H
InChIKeyBURKAPSUVIMWKT-UHFFFAOYSA-N
MW135.60 g/mol
LogP-0.33
Rot. Bonds

About 1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride

1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride (PubChem CID 19426873) has the molecular formula C4H10ClN3 and a molecular weight of 135.60 g/mol. Its IUPAC name is 1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride
PubChem CID19426873
Molecular FormulaC4H10ClN3
Molecular Weight135.60 g/mol
Exact Mass135.06
IUPAC Name1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride
SMILESCN1CCN=C1N.Cl
InChIInChI=1S/C4H9N3.ClH/c1-7-3-2-6-4(7)5;/h2-3H2,1H3,(H2,5,6);1H
InChIKeyBURKAPSUVIMWKT-UHFFFAOYSA-N
XLogP-0.33
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.60
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride?
The IUPAC name of 1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride (CID 19426873) is 1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride.
What is the SMILES notation for 1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride?
The canonical SMILES for 1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride is CN1CCN=C1N.Cl.
What is the InChIKey of 1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride?
The InChIKey is BURKAPSUVIMWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3.ClH/c1-7-3-2-6-4(7)5;/h2-3H2,1H3,(H2,5,6);1H.
What are the key properties of 1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride?
1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride has a molecular weight of 135.60 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-dihydroimidazol-2-amine;hydrochloride is sourced from PubChem (CID 19426873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).