1-(dichloromethyl)-4,5-dihydroimidazole

C4H6Cl2N2 — CID 91567104

IUPAC1-(dichloromethyl)-4,5-dihydroimidazole
SMILESClC(Cl)N1C=NCC1
InChIInChI=1S/C4H6Cl2N2/c5-4(6)8-2-1-7-3-8/h3-4H,1-2H2
InChIKeyZPLHGFSTCMDFJJ-UHFFFAOYSA-N
MW153.01 g/mol
LogP1.09
Rot. Bonds1

About 1-(dichloromethyl)-4,5-dihydroimidazole

1-(dichloromethyl)-4,5-dihydroimidazole (PubChem CID 91567104) has the molecular formula C4H6Cl2N2 and a molecular weight of 153.01 g/mol. Its IUPAC name is 1-(dichloromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(dichloromethyl)-4,5-dihydroimidazole
PubChem CID91567104
Molecular FormulaC4H6Cl2N2
Molecular Weight153.01 g/mol
Exact Mass151.99
IUPAC Name1-(dichloromethyl)-4,5-dihydroimidazole
SMILESClC(Cl)N1C=NCC1
InChIInChI=1S/C4H6Cl2N2/c5-4(6)8-2-1-7-3-8/h3-4H,1-2H2
InChIKeyZPLHGFSTCMDFJJ-UHFFFAOYSA-N
XLogP1.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.01
LogP ≤ 51.09
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-(dichloromethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(dichloromethyl)-4,5-dihydroimidazole (CID 91567104) is 1-(dichloromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(dichloromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(dichloromethyl)-4,5-dihydroimidazole is ClC(Cl)N1C=NCC1.
What is the InChIKey of 1-(dichloromethyl)-4,5-dihydroimidazole?
The InChIKey is ZPLHGFSTCMDFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2N2/c5-4(6)8-2-1-7-3-8/h3-4H,1-2H2.
What are the key properties of 1-(dichloromethyl)-4,5-dihydroimidazole?
1-(dichloromethyl)-4,5-dihydroimidazole has a molecular weight of 153.01 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 91567104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).