hydron;1H-imidazol-2-ylmethanamine;dichloride

C4H9Cl2N3 — CID 44828734

IUPAChydron;1H-imidazol-2-ylmethanamine;dichloride
SMILESNCc1ncc[nH]1.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C4H7N3.2ClH/c5-3-4-6-1-2-7-4;;/h1-2H,3,5H2,(H,6,7);2*1H
InChIKeyKYUDBQDDNKPSIC-UHFFFAOYSA-N
MW170.04 g/mol
LogP-5.90
Rot. Bonds1

About hydron;1H-imidazol-2-ylmethanamine;dichloride

hydron;1H-imidazol-2-ylmethanamine;dichloride (PubChem CID 44828734) has the molecular formula C4H9Cl2N3 and a molecular weight of 170.04 g/mol. Its IUPAC name is hydron;1H-imidazol-2-ylmethanamine;dichloride.

Molecular Properties

Compound Namehydron;1H-imidazol-2-ylmethanamine;dichloride
PubChem CID44828734
Molecular FormulaC4H9Cl2N3
Molecular Weight170.04 g/mol
Exact Mass169.02
IUPAC Namehydron;1H-imidazol-2-ylmethanamine;dichloride
SMILESNCc1ncc[nH]1.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C4H7N3.2ClH/c5-3-4-6-1-2-7-4;;/h1-2H,3,5H2,(H,6,7);2*1H
InChIKeyKYUDBQDDNKPSIC-UHFFFAOYSA-N
XLogP-5.90
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.04
LogP ≤ 5-5.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-imidazol-2-ylmethanamine;2,2,2-trifluoroacetic acid
CID 175971340
1H-imidazol-2-ylmethyl carbamate
CID 23172617
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-(fluoromethyl)-1H-imidazole;hydrochloride
CID 70625153
ethane;2-ethyl-1H-imidazole
CID 144736598
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
2-ethyl-1H-imidazole;methanol
CID 176573862
2-(1H-imidazol-2-yl)ethanol
CID 15016080
2-aminoacetic acid;2-prop-2-enyl-1H-imidazole
CID 174908896
3-(1H-imidazol-2-yl)propanoic acid
CID 175951913
2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 81321885
2-(1H-imidazol-2-yl)ethanol;hydrobromide
CID 175547099

Frequently Asked Questions

What is the IUPAC name of hydron;1H-imidazol-2-ylmethanamine;dichloride?
The IUPAC name of hydron;1H-imidazol-2-ylmethanamine;dichloride (CID 44828734) is hydron;1H-imidazol-2-ylmethanamine;dichloride.
What is the SMILES notation for hydron;1H-imidazol-2-ylmethanamine;dichloride?
The canonical SMILES for hydron;1H-imidazol-2-ylmethanamine;dichloride is NCc1ncc[nH]1.[Cl-].[Cl-].[H+].[H+].
What is the InChIKey of hydron;1H-imidazol-2-ylmethanamine;dichloride?
The InChIKey is KYUDBQDDNKPSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3.2ClH/c5-3-4-6-1-2-7-4;;/h1-2H,3,5H2,(H,6,7);2*1H.
What are the key properties of hydron;1H-imidazol-2-ylmethanamine;dichloride?
hydron;1H-imidazol-2-ylmethanamine;dichloride has a molecular weight of 170.04 g/mol, XLogP of -5.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1H-imidazol-2-ylmethanamine;dichloride is sourced from PubChem (CID 44828734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).