1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium

C6H10N2 — CID 87342972

IUPAC1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
SMILES[CH2-][NH+]1C(C)=CN=C1C
InChIInChI=1S/C6H10N2/c1-5-4-7-6(2)8(5)3/h4,8H,3H2,1-2H3
InChIKeyRFVHDESHZDFATP-UHFFFAOYSA-N
MW110.16 g/mol
LogP-0.04
Rot. Bonds

About 1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium

1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium (PubChem CID 87342972) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
PubChem CID87342972
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
SMILES[CH2-][NH+]1C(C)=CN=C1C
InChIInChI=1S/C6H10N2/c1-5-4-7-6(2)8(5)3/h4,8H,3H2,1-2H3
InChIKeyRFVHDESHZDFATP-UHFFFAOYSA-N
XLogP-0.04
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium?
The IUPAC name of 1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium (CID 87342972) is 1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium.
What is the SMILES notation for 1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium?
The canonical SMILES for 1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium is [CH2-][NH+]1C(C)=CN=C1C.
What is the InChIKey of 1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium?
The InChIKey is RFVHDESHZDFATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-4-7-6(2)8(5)3/h4,8H,3H2,1-2H3.
What are the key properties of 1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium?
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium has a molecular weight of 110.16 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium is sourced from PubChem (CID 87342972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).