1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine

C7H15N6+ — CID 123182505

IUPAC1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine
SMILESC[N+]1(N2CCN=C2N)CCN=C1N
InChIInChI=1S/C7H15N6/c1-13(5-3-11-7(13)9)12-4-2-10-6(12)8/h2-5H2,1H3,(H2,8,10)(H2,9,11)/q+1
InChIKeyZMPWJGQTFOTRGE-UHFFFAOYSA-N
MW183.24 g/mol
LogP-1.69
Rot. Bonds1

About 1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine

1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine (PubChem CID 123182505) has the molecular formula C7H15N6+ and a molecular weight of 183.24 g/mol. Its IUPAC name is 1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine.

Molecular Properties

Compound Name1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine
PubChem CID123182505
Molecular FormulaC7H15N6+
Molecular Weight183.24 g/mol
Exact Mass183.14
IUPAC Name1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine
SMILESC[N+]1(N2CCN=C2N)CCN=C1N
InChIInChI=1S/C7H15N6/c1-13(5-3-11-7(13)9)12-4-2-10-6(12)8/h2-5H2,1H3,(H2,8,10)(H2,9,11)/q+1
InChIKeyZMPWJGQTFOTRGE-UHFFFAOYSA-N
XLogP-1.69
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine?
The IUPAC name of 1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine (CID 123182505) is 1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine.
What is the SMILES notation for 1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine?
The canonical SMILES for 1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine is C[N+]1(N2CCN=C2N)CCN=C1N.
What is the InChIKey of 1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine?
The InChIKey is ZMPWJGQTFOTRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N6/c1-13(5-3-11-7(13)9)12-4-2-10-6(12)8/h2-5H2,1H3,(H2,8,10)(H2,9,11)/q+1.
What are the key properties of 1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine?
1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine has a molecular weight of 183.24 g/mol, XLogP of -1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dihydroimidazol-1-yl)-1-methyl-4,5-dihydroimidazol-1-ium-2-amine is sourced from PubChem (CID 123182505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).