2-(4-bromophenyl)-1H-imidazole;hydrobromide

C9H8Br2N2 — CID 174990772

IUPAC2-(4-bromophenyl)-1H-imidazole;hydrobromide
SMILESBr.Brc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C9H7BrN2.BrH/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;/h1-6H,(H,11,12);1H
InChIKeyNTAPLHDMXZCETD-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.42
Rot. Bonds1

About 2-(4-bromophenyl)-1H-imidazole;hydrobromide

2-(4-bromophenyl)-1H-imidazole;hydrobromide (PubChem CID 174990772) has the molecular formula C9H8Br2N2 and a molecular weight of 303.99 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-(4-bromophenyl)-1H-imidazole;hydrobromide
PubChem CID174990772
Molecular FormulaC9H8Br2N2
Molecular Weight303.99 g/mol
Exact Mass301.91
IUPAC Name2-(4-bromophenyl)-1H-imidazole;hydrobromide
SMILESBr.Brc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C9H7BrN2.BrH/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;/h1-6H,(H,11,12);1H
InChIKeyNTAPLHDMXZCETD-UHFFFAOYSA-N
XLogP3.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.99
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1H-imidazole;hydrobromide?
The IUPAC name of 2-(4-bromophenyl)-1H-imidazole;hydrobromide (CID 174990772) is 2-(4-bromophenyl)-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-(4-bromophenyl)-1H-imidazole;hydrobromide?
The canonical SMILES for 2-(4-bromophenyl)-1H-imidazole;hydrobromide is Br.Brc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1H-imidazole;hydrobromide?
The InChIKey is NTAPLHDMXZCETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2.BrH/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;/h1-6H,(H,11,12);1H.
What are the key properties of 2-(4-bromophenyl)-1H-imidazole;hydrobromide?
2-(4-bromophenyl)-1H-imidazole;hydrobromide has a molecular weight of 303.99 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1H-imidazole;hydrobromide is sourced from PubChem (CID 174990772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).