2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol

C15H22N5O+ — CID 142226404

IUPAC2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol
SMILESCc1c[n+](C)c(/N=N/c2ccc(N(C)CCO)cc2)n1C
InChIInChI=1S/C15H22N5O/c1-12-11-19(3)15(20(12)4)17-16-13-5-7-14(8-6-13)18(2)9-10-21/h5-8,11,21H,9-10H2,1-4H3/q+1
InChIKeyGWGNCTQLSDPUCD-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.00
Rot. Bonds5

About 2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol

2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol (PubChem CID 142226404) has the molecular formula C15H22N5O+ and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol
PubChem CID142226404
Molecular FormulaC15H22N5O+
Molecular Weight288.38 g/mol
Exact Mass288.18
IUPAC Name2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol
SMILESCc1c[n+](C)c(/N=N/c2ccc(N(C)CCO)cc2)n1C
InChIInChI=1S/C15H22N5O/c1-12-11-19(3)15(20(12)4)17-16-13-5-7-14(8-6-13)18(2)9-10-21/h5-8,11,21H,9-10H2,1-4H3/q+1
InChIKeyGWGNCTQLSDPUCD-UHFFFAOYSA-N
XLogP2.00
TPSA57.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol?
The IUPAC name of 2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol (CID 142226404) is 2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol?
The canonical SMILES for 2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol is Cc1c[n+](C)c(/N=N/c2ccc(N(C)CCO)cc2)n1C.
What is the InChIKey of 2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol?
The InChIKey is GWGNCTQLSDPUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N5O/c1-12-11-19(3)15(20(12)4)17-16-13-5-7-14(8-6-13)18(2)9-10-21/h5-8,11,21H,9-10H2,1-4H3/q+1.
What are the key properties of 2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol?
2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol has a molecular weight of 288.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methyl-4-[(1,3,4-trimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethanol is sourced from PubChem (CID 142226404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).