1-(2-chloroethyl)-4,5-dihydroimidazole

C5H9ClN2 — CID 70403494

IUPAC1-(2-chloroethyl)-4,5-dihydroimidazole
SMILESClCCN1C=NCC1
InChIInChI=1S/C5H9ClN2/c6-1-3-8-4-2-7-5-8/h5H,1-4H2
InChIKeyIXXSKGHVVMEKKJ-UHFFFAOYSA-N
MW132.59 g/mol
LogP0.57
Rot. Bonds2

About 1-(2-chloroethyl)-4,5-dihydroimidazole

1-(2-chloroethyl)-4,5-dihydroimidazole (PubChem CID 70403494) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2-chloroethyl)-4,5-dihydroimidazole
PubChem CID70403494
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name1-(2-chloroethyl)-4,5-dihydroimidazole
SMILESClCCN1C=NCC1
InChIInChI=1S/C5H9ClN2/c6-1-3-8-4-2-7-5-8/h5H,1-4H2
InChIKeyIXXSKGHVVMEKKJ-UHFFFAOYSA-N
XLogP0.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 50.57
H-Bond Donors ≤ 50
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 1-(2-chloroethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(2-chloroethyl)-4,5-dihydroimidazole (CID 70403494) is 1-(2-chloroethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2-chloroethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(2-chloroethyl)-4,5-dihydroimidazole is ClCCN1C=NCC1.
What is the InChIKey of 1-(2-chloroethyl)-4,5-dihydroimidazole?
The InChIKey is IXXSKGHVVMEKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2/c6-1-3-8-4-2-7-5-8/h5H,1-4H2.
What are the key properties of 1-(2-chloroethyl)-4,5-dihydroimidazole?
1-(2-chloroethyl)-4,5-dihydroimidazole has a molecular weight of 132.59 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 70403494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).