5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide

C6H10Br2N2 — CID 146082445

IUPAC5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide
SMILESBr.Cc1ncn(C)c1CBr
InChIInChI=1S/C6H9BrN2.BrH/c1-5-6(3-7)9(2)4-8-5;/h4H,3H2,1-2H3;1H
InChIKeyMMEGWAIPNNIRRM-UHFFFAOYSA-N
MW269.97 g/mol
LogP2.20
Rot. Bonds1

About 5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide

5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide (PubChem CID 146082445) has the molecular formula C6H10Br2N2 and a molecular weight of 269.97 g/mol. Its IUPAC name is 5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide.

Molecular Properties

Compound Name5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide
PubChem CID146082445
Molecular FormulaC6H10Br2N2
Molecular Weight269.97 g/mol
Exact Mass267.92
IUPAC Name5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide
SMILESBr.Cc1ncn(C)c1CBr
InChIInChI=1S/C6H9BrN2.BrH/c1-5-6(3-7)9(2)4-8-5;/h4H,3H2,1-2H3;1H
InChIKeyMMEGWAIPNNIRRM-UHFFFAOYSA-N
XLogP2.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.97
LogP ≤ 52.20
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 5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide?
The IUPAC name of 5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide (CID 146082445) is 5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide.
What is the SMILES notation for 5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide?
The canonical SMILES for 5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide is Br.Cc1ncn(C)c1CBr.
What is the InChIKey of 5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide?
The InChIKey is MMEGWAIPNNIRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2.BrH/c1-5-6(3-7)9(2)4-8-5;/h4H,3H2,1-2H3;1H.
What are the key properties of 5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide?
5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide has a molecular weight of 269.97 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,4-dimethylimidazole;hydrobromide is sourced from PubChem (CID 146082445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).