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

C4H9N3 — CID 4606882

IUPAC1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1N
InChIInChI=1S/C4H9N3/c1-7-3-2-6-4(7)5/h2-3H2,1H3,(H2,5,6)
InChIKeyLVZDYZBGDSGSCR-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.75
Rot. Bonds

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

1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 4606882) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID4606882
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1N
InChIInChI=1S/C4H9N3/c1-7-3-2-6-4(7)5/h2-3H2,1H3,(H2,5,6)
InChIKeyLVZDYZBGDSGSCR-UHFFFAOYSA-N
XLogP-0.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.75
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?
The IUPAC name of 1-methyl-4,5-dihydroimidazol-2-amine (CID 4606882) is 1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1N.
What is the InChIKey of 1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is LVZDYZBGDSGSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-7-3-2-6-4(7)5/h2-3H2,1H3,(H2,5,6).
What are the key properties of 1-methyl-4,5-dihydroimidazol-2-amine?
1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 99.14 g/mol, XLogP of -0.75, 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 is sourced from PubChem (CID 4606882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).