(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride

C5H13Cl2N3 — CID 126796968

IUPAC(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride
SMILESCN1CCN=C1CN.Cl.Cl
InChIInChI=1S/C5H11N3.2ClH/c1-8-3-2-7-5(8)4-6;;/h2-4,6H2,1H3;2*1H
InChIKeyDQOXOEOBZZEJTF-UHFFFAOYSA-N
MW186.09 g/mol
LogP0.13
Rot. Bonds1

About (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride

(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride (PubChem CID 126796968) has the molecular formula C5H13Cl2N3 and a molecular weight of 186.09 g/mol. Its IUPAC name is (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride
PubChem CID126796968
Molecular FormulaC5H13Cl2N3
Molecular Weight186.09 g/mol
Exact Mass185.05
IUPAC Name(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride
SMILESCN1CCN=C1CN.Cl.Cl
InChIInChI=1S/C5H11N3.2ClH/c1-8-3-2-7-5(8)4-6;;/h2-4,6H2,1H3;2*1H
InChIKeyDQOXOEOBZZEJTF-UHFFFAOYSA-N
XLogP0.13
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.09
LogP ≤ 50.13
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-yl)methanamine;dihydrochloride?
The IUPAC name of (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride (CID 126796968) is (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride is CN1CCN=C1CN.Cl.Cl.
What is the InChIKey of (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride?
The InChIKey is DQOXOEOBZZEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.2ClH/c1-8-3-2-7-5(8)4-6;;/h2-4,6H2,1H3;2*1H.
What are the key properties of (1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride?
(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride has a molecular weight of 186.09 g/mol, XLogP of 0.13, 1 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-yl)methanamine;dihydrochloride is sourced from PubChem (CID 126796968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).