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

C15H23N5O2 — CID 3023150

IUPAC4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline acetate
SMILESCC(=O)[O-].CN(C)c1ccc(/N=N/C2N(C)C=C[NH+]2C)cc1
InChIInChI=1S/C13H19N5.C2H4O2/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-2(3)4/h5-10,13H,1-4H3;1H3,(H,3,4)/b15-14+;
InChIKeyHUHLSRZJJKTPBO-WPDLWGESSA-N
MW305.38 g/mol
LogP-0.19
Rot. Bonds3

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

4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline acetate (PubChem CID 3023150) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline acetate.

Molecular Properties

Compound Name4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline acetate
PubChem CID3023150
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline acetate
SMILESCC(=O)[O-].CN(C)c1ccc(/N=N/C2N(C)C=C[NH+]2C)cc1
InChIInChI=1S/C13H19N5.C2H4O2/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-2(3)4/h5-10,13H,1-4H3;1H3,(H,3,4)/b15-14+;
InChIKeyHUHLSRZJJKTPBO-WPDLWGESSA-N
XLogP-0.19
TPSA75.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 acetate?
The IUPAC name of 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline acetate (CID 3023150) is 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline acetate.
What is the SMILES notation for 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline acetate?
The canonical SMILES for 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline acetate is CC(=O)[O-].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 acetate?
The InChIKey is HUHLSRZJJKTPBO-WPDLWGESSA-N. The full InChI is InChI=1S/C13H19N5.C2H4O2/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-2(3)4/h5-10,13H,1-4H3;1H3,(H,3,4)/b15-14+;.
What are the key properties of 4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline acetate?
4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline acetate has a molecular weight of 305.38 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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 acetate is sourced from PubChem (CID 3023150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).