1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride

C4H8Cl2N2 — CID 55262340

IUPAC1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride
SMILESCl.ClCN1C=NCC1
InChIInChI=1S/C4H7ClN2.ClH/c5-3-7-2-1-6-4-7;/h4H,1-3H2;1H
InChIKeyPHRXDSRBTZBRIK-UHFFFAOYSA-N
MW155.03 g/mol
LogP0.95
Rot. Bonds1

About 1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride

1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride (PubChem CID 55262340) has the molecular formula C4H8Cl2N2 and a molecular weight of 155.03 g/mol. Its IUPAC name is 1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride.

Molecular Properties

Compound Name1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride
PubChem CID55262340
Molecular FormulaC4H8Cl2N2
Molecular Weight155.03 g/mol
Exact Mass154.01
IUPAC Name1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride
SMILESCl.ClCN1C=NCC1
InChIInChI=1S/C4H7ClN2.ClH/c5-3-7-2-1-6-4-7;/h4H,1-3H2;1H
InChIKeyPHRXDSRBTZBRIK-UHFFFAOYSA-N
XLogP0.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.03
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride?
The IUPAC name of 1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride (CID 55262340) is 1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride.
What is the SMILES notation for 1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride?
The canonical SMILES for 1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride is Cl.ClCN1C=NCC1.
What is the InChIKey of 1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride?
The InChIKey is PHRXDSRBTZBRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN2.ClH/c5-3-7-2-1-6-4-7;/h4H,1-3H2;1H.
What are the key properties of 1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride?
1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride has a molecular weight of 155.03 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4,5-dihydroimidazole;hydrochloride is sourced from PubChem (CID 55262340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).