2-imidazol-1-ylaniline;dihydrochloride

C9H11Cl2N3 — CID 46786017

IUPAC2-imidazol-1-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1-n1ccnc1
InChIInChI=1S/C9H9N3.2ClH/c10-8-3-1-2-4-9(8)12-6-5-11-7-12;;/h1-7H,10H2;2*1H
InChIKeyGMANGTCLSBAIKQ-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.30
Rot. Bonds1

About 2-imidazol-1-ylaniline;dihydrochloride

2-imidazol-1-ylaniline;dihydrochloride (PubChem CID 46786017) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-imidazol-1-ylaniline;dihydrochloride.

Molecular Properties

Compound Name2-imidazol-1-ylaniline;dihydrochloride
PubChem CID46786017
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name2-imidazol-1-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1-n1ccnc1
InChIInChI=1S/C9H9N3.2ClH/c10-8-3-1-2-4-9(8)12-6-5-11-7-12;;/h1-7H,10H2;2*1H
InChIKeyGMANGTCLSBAIKQ-UHFFFAOYSA-N
XLogP2.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-imidazol-1-yl-2-methoxyaniline
CID 166843849
1-naphthalen-1-ylimidazole;hydrochloride
CID 175383926
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
3-imidazol-1-yl-2-(methylsulfanylmethyl)aniline
CID 154245904
2-(1,2,4-triazol-4-yl)aniline
CID 21271854
1-(2-imidazol-1-ylphenyl)pyrazole
CID 125480234
4-(2-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117325152
2-ethyl-6-imidazol-1-ylaniline
CID 84661065
3,4-di(imidazol-1-yl)aniline
CID 129289428
3-amino-4-imidazol-1-ylbenzamide
CID 43448488
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
1-(2-phenoxyphenyl)imidazole
CID 21429172

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylaniline;dihydrochloride?
The IUPAC name of 2-imidazol-1-ylaniline;dihydrochloride (CID 46786017) is 2-imidazol-1-ylaniline;dihydrochloride.
What is the SMILES notation for 2-imidazol-1-ylaniline;dihydrochloride?
The canonical SMILES for 2-imidazol-1-ylaniline;dihydrochloride is Cl.Cl.Nc1ccccc1-n1ccnc1.
What is the InChIKey of 2-imidazol-1-ylaniline;dihydrochloride?
The InChIKey is GMANGTCLSBAIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.2ClH/c10-8-3-1-2-4-9(8)12-6-5-11-7-12;;/h1-7H,10H2;2*1H.
What are the key properties of 2-imidazol-1-ylaniline;dihydrochloride?
2-imidazol-1-ylaniline;dihydrochloride has a molecular weight of 232.11 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylaniline;dihydrochloride is sourced from PubChem (CID 46786017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).