2-chloro-1,3-dimethylimidazolidine;hydrobromide

C5H12BrClN2 — CID 173141555

IUPAC2-chloro-1,3-dimethylimidazolidine;hydrobromide
SMILESBr.CN1CCN(C)C1Cl
InChIInChI=1S/C5H11ClN2.BrH/c1-7-3-4-8(2)5(7)6;/h5H,3-4H2,1-2H3;1H
InChIKeyWZHXGDFWUWSGOB-UHFFFAOYSA-N
MW215.52 g/mol
LogP0.96
Rot. Bonds

About 2-chloro-1,3-dimethylimidazolidine;hydrobromide

2-chloro-1,3-dimethylimidazolidine;hydrobromide (PubChem CID 173141555) has the molecular formula C5H12BrClN2 and a molecular weight of 215.52 g/mol. Its IUPAC name is 2-chloro-1,3-dimethylimidazolidine;hydrobromide.

Molecular Properties

Compound Name2-chloro-1,3-dimethylimidazolidine;hydrobromide
PubChem CID173141555
Molecular FormulaC5H12BrClN2
Molecular Weight215.52 g/mol
Exact Mass213.99
IUPAC Name2-chloro-1,3-dimethylimidazolidine;hydrobromide
SMILESBr.CN1CCN(C)C1Cl
InChIInChI=1S/C5H11ClN2.BrH/c1-7-3-4-8(2)5(7)6;/h5H,3-4H2,1-2H3;1H
InChIKeyWZHXGDFWUWSGOB-UHFFFAOYSA-N
XLogP0.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.52
LogP ≤ 50.96
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 2-chloro-1,3-dimethylimidazolidine;hydrobromide?
The IUPAC name of 2-chloro-1,3-dimethylimidazolidine;hydrobromide (CID 173141555) is 2-chloro-1,3-dimethylimidazolidine;hydrobromide.
What is the SMILES notation for 2-chloro-1,3-dimethylimidazolidine;hydrobromide?
The canonical SMILES for 2-chloro-1,3-dimethylimidazolidine;hydrobromide is Br.CN1CCN(C)C1Cl.
What is the InChIKey of 2-chloro-1,3-dimethylimidazolidine;hydrobromide?
The InChIKey is WZHXGDFWUWSGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2.BrH/c1-7-3-4-8(2)5(7)6;/h5H,3-4H2,1-2H3;1H.
What are the key properties of 2-chloro-1,3-dimethylimidazolidine;hydrobromide?
2-chloro-1,3-dimethylimidazolidine;hydrobromide has a molecular weight of 215.52 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-dimethylimidazolidine;hydrobromide is sourced from PubChem (CID 173141555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).