1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide

C29H27BrN2 — CID 173073256

IUPAC1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide
SMILESBr.c1ccc(CN2CN(Cc3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C29H26N2.BrH/c1-5-13-24(14-6-1)21-30-23-31(22-25-15-7-2-8-16-25)29(27-19-11-4-12-20-27)28(30)26-17-9-3-10-18-26;/h1-20H,21-23H2;1H
InChIKeyOZPWXTNUKKCAOW-UHFFFAOYSA-N
MW483.45 g/mol
LogP7.07
Rot. Bonds6

About 1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide

1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide (PubChem CID 173073256) has the molecular formula C29H27BrN2 and a molecular weight of 483.45 g/mol. Its IUPAC name is 1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide.

Molecular Properties

Compound Name1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide
PubChem CID173073256
Molecular FormulaC29H27BrN2
Molecular Weight483.45 g/mol
Exact Mass482.14
IUPAC Name1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide
SMILESBr.c1ccc(CN2CN(Cc3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C29H26N2.BrH/c1-5-13-24(14-6-1)21-30-23-31(22-25-15-7-2-8-16-25)29(27-19-11-4-12-20-27)28(30)26-17-9-3-10-18-26;/h1-20H,21-23H2;1H
InChIKeyOZPWXTNUKKCAOW-UHFFFAOYSA-N
XLogP7.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide?
The IUPAC name of 1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide (CID 173073256) is 1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide.
What is the SMILES notation for 1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide?
The canonical SMILES for 1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide is Br.c1ccc(CN2CN(Cc3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1.
What is the InChIKey of 1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide?
The InChIKey is OZPWXTNUKKCAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2.BrH/c1-5-13-24(14-6-1)21-30-23-31(22-25-15-7-2-8-16-25)29(27-19-11-4-12-20-27)28(30)26-17-9-3-10-18-26;/h1-20H,21-23H2;1H.
What are the key properties of 1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide?
1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide has a molecular weight of 483.45 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-4,5-diphenyl-2H-imidazole;hydrobromide is sourced from PubChem (CID 173073256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).