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

C17H17Br2N2- — CID 162319064

IUPAC1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide
SMILESBrc1ccc(CN2C=CN(Cc3ccccc3)C2)cc1.[Br-]
InChIInChI=1S/C17H17BrN2.BrH/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;1H/p-1
InChIKeyOOMCYTWZGZQQFX-UHFFFAOYSA-M
MW409.15 g/mol
LogP1.20
Rot. Bonds4

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

1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide (PubChem CID 162319064) has the molecular formula C17H17Br2N2- and a molecular weight of 409.15 g/mol. Its IUPAC name is 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide.

Molecular Properties

Compound Name1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide
PubChem CID162319064
Molecular FormulaC17H17Br2N2-
Molecular Weight409.15 g/mol
Exact Mass406.98
IUPAC Name1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide
SMILESBrc1ccc(CN2C=CN(Cc3ccccc3)C2)cc1.[Br-]
InChIInChI=1S/C17H17BrN2.BrH/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;1H/p-1
InChIKeyOOMCYTWZGZQQFX-UHFFFAOYSA-M
XLogP1.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.15
LogP ≤ 51.20
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 bromide?
The IUPAC name of 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide (CID 162319064) is 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide.
What is the SMILES notation for 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide?
The canonical SMILES for 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide is Brc1ccc(CN2C=CN(Cc3ccccc3)C2)cc1.[Br-].
What is the InChIKey of 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide?
The InChIKey is OOMCYTWZGZQQFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17BrN2.BrH/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;1H/p-1.
What are the key properties of 1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide?
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide has a molecular weight of 409.15 g/mol, XLogP of 1.20, 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 bromide is sourced from PubChem (CID 162319064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).