2-(1H-imidazol-5-yl)aniline;dihydrochloride

C9H11Cl2N3 — CID 155973164

IUPAC2-(1H-imidazol-5-yl)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1-c1cnc[nH]1
InChIInChI=1S/C9H9N3.2ClH/c10-8-4-2-1-3-7(8)9-5-11-6-12-9;;/h1-6H,10H2,(H,11,12);2*1H
InChIKeyPVEVWHKPGVQAIG-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.50
Rot. Bonds1

About 2-(1H-imidazol-5-yl)aniline;dihydrochloride

2-(1H-imidazol-5-yl)aniline;dihydrochloride (PubChem CID 155973164) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)aniline;dihydrochloride.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)aniline;dihydrochloride
PubChem CID155973164
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name2-(1H-imidazol-5-yl)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccccc1-c1cnc[nH]1
InChIInChI=1S/C9H9N3.2ClH/c10-8-4-2-1-3-7(8)9-5-11-6-12-9;;/h1-6H,10H2,(H,11,12);2*1H
InChIKeyPVEVWHKPGVQAIG-UHFFFAOYSA-N
XLogP2.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-imidazol-5-yl)aniline
CID 14698017
[2-(1H-imidazol-5-yl)phenyl]methanamine
CID 21023616
bis[2-(1H-imidazol-5-yl)phenyl]methanone
CID 118549351
5-(1H-imidazol-5-yl)naphthalen-1-ol
CID 174313380
2-[[4-(1H-imidazol-5-yl)anilino]methyl]aniline
CID 66387858
6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine
CID 175935597
2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid
CID 115029533
5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole
CID 58294140
4-(1H-imidazol-5-yl)quinoline
CID 11063321
ethane;2-(1H-imidazol-5-yl)pyridine
CID 144804371
2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
CID 143884984
lithium (2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoate
CID 86673019

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)aniline;dihydrochloride?
The IUPAC name of 2-(1H-imidazol-5-yl)aniline;dihydrochloride (CID 155973164) is 2-(1H-imidazol-5-yl)aniline;dihydrochloride.
What is the SMILES notation for 2-(1H-imidazol-5-yl)aniline;dihydrochloride?
The canonical SMILES for 2-(1H-imidazol-5-yl)aniline;dihydrochloride is Cl.Cl.Nc1ccccc1-c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)aniline;dihydrochloride?
The InChIKey is PVEVWHKPGVQAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.2ClH/c10-8-4-2-1-3-7(8)9-5-11-6-12-9;;/h1-6H,10H2,(H,11,12);2*1H.
What are the key properties of 2-(1H-imidazol-5-yl)aniline;dihydrochloride?
2-(1H-imidazol-5-yl)aniline;dihydrochloride has a molecular weight of 232.11 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)aniline;dihydrochloride is sourced from PubChem (CID 155973164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).