1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole

C17H17BrN2 — CID 58478707

IUPAC1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole
SMILESBrc1ccc(CN2C=CN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C17H17BrN2/c18-17-8-6-16(7-9-17)13-20-11-10-19(14-20)12-15-4-2-1-3-5-15/h1-11H,12-14H2
InChIKeyKWFZMGHUPOHXGN-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.20
Rot. Bonds4

About 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole

1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole (PubChem CID 58478707) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole
PubChem CID58478707
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole
SMILESBrc1ccc(CN2C=CN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C17H17BrN2/c18-17-8-6-16(7-9-17)13-20-11-10-19(14-20)12-15-4-2-1-3-5-15/h1-11H,12-14H2
InChIKeyKWFZMGHUPOHXGN-UHFFFAOYSA-N
XLogP4.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole?
The IUPAC name of 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole (CID 58478707) is 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole.
What is the SMILES notation for 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole?
The canonical SMILES for 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole is Brc1ccc(CN2C=CN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole?
The InChIKey is KWFZMGHUPOHXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c18-17-8-6-16(7-9-17)13-20-11-10-19(14-20)12-15-4-2-1-3-5-15/h1-11H,12-14H2.
What are the key properties of 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole?
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole has a molecular weight of 329.24 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole is sourced from PubChem (CID 58478707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).