(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene

C12H15N4+ — CID 58785058

IUPAC(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene
SMILESCc1ccc(/N=N/c2n(C)cc[n+]2C)cc1
InChIInChI=1S/C12H15N4/c1-10-4-6-11(7-5-10)13-14-12-15(2)8-9-16(12)3/h4-9H,1-3H3/q+1
InChIKeyQBLONWWBGMAXIU-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.57
Rot. Bonds2

About (1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene

(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene (PubChem CID 58785058) has the molecular formula C12H15N4+ and a molecular weight of 215.28 g/mol. Its IUPAC name is (1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene.

Molecular Properties

Compound Name(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene
PubChem CID58785058
Molecular FormulaC12H15N4+
Molecular Weight215.28 g/mol
Exact Mass215.13
IUPAC Name(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene
SMILESCc1ccc(/N=N/c2n(C)cc[n+]2C)cc1
InChIInChI=1S/C12H15N4/c1-10-4-6-11(7-5-10)13-14-12-15(2)8-9-16(12)3/h4-9H,1-3H3/q+1
InChIKeyQBLONWWBGMAXIU-UHFFFAOYSA-N
XLogP2.57
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene?
The IUPAC name of (1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene (CID 58785058) is (1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene.
What is the SMILES notation for (1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene?
The canonical SMILES for (1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene is Cc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.
What is the InChIKey of (1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene?
The InChIKey is QBLONWWBGMAXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N4/c1-10-4-6-11(7-5-10)13-14-12-15(2)8-9-16(12)3/h4-9H,1-3H3/q+1.
What are the key properties of (1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene?
(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene has a molecular weight of 215.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene is sourced from PubChem (CID 58785058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).