4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline

C13H20N5+ — CID 20762594

IUPAC4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/C2N(C)C=C[NH+]2C)cc1
InChIInChI=1S/C13H19N5/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4/h5-10,13H,1-4H3/p+1/b15-14+
InChIKeyDGFCCASYYOGXCL-CCEZHUSRSA-O
MW246.34 g/mol
LogP1.05
Rot. Bonds3

About 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline

4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline (PubChem CID 20762594) has the molecular formula C13H20N5+ and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline
PubChem CID20762594
Molecular FormulaC13H20N5+
Molecular Weight246.34 g/mol
Exact Mass246.17
IUPAC Name4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/C2N(C)C=C[NH+]2C)cc1
InChIInChI=1S/C13H19N5/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4/h5-10,13H,1-4H3/p+1/b15-14+
InChIKeyDGFCCASYYOGXCL-CCEZHUSRSA-O
XLogP1.05
TPSA35.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline (CID 20762594) is 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline is CN(C)c1ccc(/N=N/C2N(C)C=C[NH+]2C)cc1.
What is the InChIKey of 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline?
The InChIKey is DGFCCASYYOGXCL-CCEZHUSRSA-O. The full InChI is InChI=1S/C13H19N5/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4/h5-10,13H,1-4H3/p+1/b15-14+.
What are the key properties of 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline?
4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline has a molecular weight of 246.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 20762594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).