(4-methyl-5-methylideneimidazol-2-yl)methanimine

C6H7N3 — CID 20643273

IUPAC(4-methyl-5-methylideneimidazol-2-yl)methanimine
SMILES[H]/N=C/C1=NC(=C)C(C)=N1
InChIInChI=1S/C6H7N3/c1-4-5(2)9-6(3-7)8-4/h3,7H,1H2,2H3/b7-3+
InChIKeyGUCQBVQPXUACQV-XVNBXDOJSA-N
MW121.14 g/mol
LogP1.02
Rot. Bonds1

About (4-methyl-5-methylideneimidazol-2-yl)methanimine

(4-methyl-5-methylideneimidazol-2-yl)methanimine (PubChem CID 20643273) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is (4-methyl-5-methylideneimidazol-2-yl)methanimine.

Molecular Properties

Compound Name(4-methyl-5-methylideneimidazol-2-yl)methanimine
PubChem CID20643273
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name(4-methyl-5-methylideneimidazol-2-yl)methanimine
SMILES[H]/N=C/C1=NC(=C)C(C)=N1
InChIInChI=1S/C6H7N3/c1-4-5(2)9-6(3-7)8-4/h3,7H,1H2,2H3/b7-3+
InChIKeyGUCQBVQPXUACQV-XVNBXDOJSA-N
XLogP1.02
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4-methylideneimidazol-1-ium
CID 91287056
2-Methyl-4-methylideneimidazole
CID 91287057
3-N-ethylidenebut-3-ene-2,3-diimine
CID 123502237

Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-methylideneimidazol-2-yl)methanimine?
The IUPAC name of (4-methyl-5-methylideneimidazol-2-yl)methanimine (CID 20643273) is (4-methyl-5-methylideneimidazol-2-yl)methanimine.
What is the SMILES notation for (4-methyl-5-methylideneimidazol-2-yl)methanimine?
The canonical SMILES for (4-methyl-5-methylideneimidazol-2-yl)methanimine is [H]/N=C/C1=NC(=C)C(C)=N1.
What is the InChIKey of (4-methyl-5-methylideneimidazol-2-yl)methanimine?
The InChIKey is GUCQBVQPXUACQV-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H7N3/c1-4-5(2)9-6(3-7)8-4/h3,7H,1H2,2H3/b7-3+.
What are the key properties of (4-methyl-5-methylideneimidazol-2-yl)methanimine?
(4-methyl-5-methylideneimidazol-2-yl)methanimine has a molecular weight of 121.14 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-methylideneimidazol-2-yl)methanimine is sourced from PubChem (CID 20643273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).