2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride

C4H8Cl2N2 — CID 2760928

IUPAC2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.ClCC1=NCCN1
InChIInChI=1S/C4H7ClN2.ClH/c5-3-4-6-1-2-7-4;/h1-3H2,(H,6,7);1H
InChIKeyGHCCHMFFNHOXEU-UHFFFAOYSA-N
MW155.03 g/mol
LogP0.65
Rot. Bonds1

About 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 2760928) has the molecular formula C4H8Cl2N2 and a molecular weight of 155.03 g/mol. Its IUPAC name is 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID2760928
Molecular FormulaC4H8Cl2N2
Molecular Weight155.03 g/mol
Exact Mass154.01
IUPAC Name2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.ClCC1=NCCN1
InChIInChI=1S/C4H7ClN2.ClH/c5-3-4-6-1-2-7-4;/h1-3H2,(H,6,7);1H
InChIKeyGHCCHMFFNHOXEU-UHFFFAOYSA-N
XLogP0.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.03
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 2760928) is 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride is Cl.ClCC1=NCCN1.
What is the InChIKey of 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is GHCCHMFFNHOXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN2.ClH/c5-3-4-6-1-2-7-4;/h1-3H2,(H,6,7);1H.
What are the key properties of 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 155.03 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 2760928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).