1-[3-(bromomethyl)phenyl]imidazole;hydrobromide

C10H10Br2N2 — CID 72710327

IUPAC1-[3-(bromomethyl)phenyl]imidazole;hydrobromide
SMILESBr.BrCc1cccc(-n2ccnc2)c1
InChIInChI=1S/C10H9BrN2.BrH/c11-7-9-2-1-3-10(6-9)13-5-4-12-8-13;/h1-6,8H,7H2;1H
InChIKeyBQTDXDQWUTWNTE-UHFFFAOYSA-N
MW318.01 g/mol
LogP3.35
Rot. Bonds2

About 1-[3-(bromomethyl)phenyl]imidazole;hydrobromide

1-[3-(bromomethyl)phenyl]imidazole;hydrobromide (PubChem CID 72710327) has the molecular formula C10H10Br2N2 and a molecular weight of 318.01 g/mol. Its IUPAC name is 1-[3-(bromomethyl)phenyl]imidazole;hydrobromide.

Molecular Properties

Compound Name1-[3-(bromomethyl)phenyl]imidazole;hydrobromide
PubChem CID72710327
Molecular FormulaC10H10Br2N2
Molecular Weight318.01 g/mol
Exact Mass315.92
IUPAC Name1-[3-(bromomethyl)phenyl]imidazole;hydrobromide
SMILESBr.BrCc1cccc(-n2ccnc2)c1
InChIInChI=1S/C10H9BrN2.BrH/c11-7-9-2-1-3-10(6-9)13-5-4-12-8-13;/h1-6,8H,7H2;1H
InChIKeyBQTDXDQWUTWNTE-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.01
LogP ≤ 53.35
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-[3-(bromomethyl)phenyl]imidazole;hydrobromide?
The IUPAC name of 1-[3-(bromomethyl)phenyl]imidazole;hydrobromide (CID 72710327) is 1-[3-(bromomethyl)phenyl]imidazole;hydrobromide.
What is the SMILES notation for 1-[3-(bromomethyl)phenyl]imidazole;hydrobromide?
The canonical SMILES for 1-[3-(bromomethyl)phenyl]imidazole;hydrobromide is Br.BrCc1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-[3-(bromomethyl)phenyl]imidazole;hydrobromide?
The InChIKey is BQTDXDQWUTWNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2.BrH/c11-7-9-2-1-3-10(6-9)13-5-4-12-8-13;/h1-6,8H,7H2;1H.
What are the key properties of 1-[3-(bromomethyl)phenyl]imidazole;hydrobromide?
1-[3-(bromomethyl)phenyl]imidazole;hydrobromide has a molecular weight of 318.01 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(bromomethyl)phenyl]imidazole;hydrobromide is sourced from PubChem (CID 72710327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).