chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine

C5H9Cl2N3O — CID 67432919

IUPACchloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine
SMILESClOCl.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.Cl2O/c6-2-1-5-3-7-4-8-5;1-3-2/h3-4H,1-2,6H2,(H,7,8);
InChIKeyGMKPVWFQSCAPMB-UHFFFAOYSA-N
MW198.05 g/mol
LogP1.22
Rot. Bonds2

About chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine

chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine (PubChem CID 67432919) has the molecular formula C5H9Cl2N3O and a molecular weight of 198.05 g/mol. Its IUPAC name is chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Namechloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine
PubChem CID67432919
Molecular FormulaC5H9Cl2N3O
Molecular Weight198.05 g/mol
Exact Mass197.01
IUPAC Namechloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine
SMILESClOCl.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.Cl2O/c6-2-1-5-3-7-4-8-5;1-3-2/h3-4H,1-2,6H2,(H,7,8);
InChIKeyGMKPVWFQSCAPMB-UHFFFAOYSA-N
XLogP1.22
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 88937716
5-(2-methylsulfanylethyl)-1H-imidazole
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2-amino-4-methylpentanoic acid;2-(1H-imidazol-5-yl)ethanamine
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CID 168881125
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine (CID 67432919) is chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine is ClOCl.NCCc1cnc[nH]1.
What is the InChIKey of chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is GMKPVWFQSCAPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.Cl2O/c6-2-1-5-3-7-4-8-5;1-3-2/h3-4H,1-2,6H2,(H,7,8);.
What are the key properties of chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine?
chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 198.05 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 67432919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).