2-(2-bromophenyl)-4,5-dihydro-1H-imidazole

C9H9BrN2 — CID 22744726

IUPAC2-(2-bromophenyl)-4,5-dihydro-1H-imidazole
SMILESBrc1ccccc1C1=NCCN1
InChIInChI=1S/C9H9BrN2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)
InChIKeyHZIQEYVOYRFRFV-UHFFFAOYSA-N
MW225.09 g/mol
LogP1.80
Rot. Bonds1

About 2-(2-bromophenyl)-4,5-dihydro-1H-imidazole

2-(2-bromophenyl)-4,5-dihydro-1H-imidazole (PubChem CID 22744726) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-4,5-dihydro-1H-imidazole
PubChem CID22744726
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name2-(2-bromophenyl)-4,5-dihydro-1H-imidazole
SMILESBrc1ccccc1C1=NCCN1
InChIInChI=1S/C9H9BrN2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)
InChIKeyHZIQEYVOYRFRFV-UHFFFAOYSA-N
XLogP1.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2-bromophenyl)-4,5-dihydro-1H-imidazole (CID 22744726) is 2-(2-bromophenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2-bromophenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2-bromophenyl)-4,5-dihydro-1H-imidazole is Brc1ccccc1C1=NCCN1.
What is the InChIKey of 2-(2-bromophenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is HZIQEYVOYRFRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12).
What are the key properties of 2-(2-bromophenyl)-4,5-dihydro-1H-imidazole?
2-(2-bromophenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 225.09 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 22744726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).