2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole

C21H17BrN2 — CID 139909401

IUPAC2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole
SMILESBrc1cccc(C2=NCC(c3ccccc3)(c3ccccc3)N2)c1
InChIInChI=1S/C21H17BrN2/c22-19-13-7-8-16(14-19)20-23-15-21(24-20,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15H2,(H,23,24)
InChIKeyOPXLHKASTHOTLB-UHFFFAOYSA-N
MW377.29 g/mol
LogP4.74
Rot. Bonds3

About 2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole

2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole (PubChem CID 139909401) has the molecular formula C21H17BrN2 and a molecular weight of 377.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole
PubChem CID139909401
Molecular FormulaC21H17BrN2
Molecular Weight377.29 g/mol
Exact Mass376.06
IUPAC Name2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole
SMILESBrc1cccc(C2=NCC(c3ccccc3)(c3ccccc3)N2)c1
InChIInChI=1S/C21H17BrN2/c22-19-13-7-8-16(14-19)20-23-15-21(24-20,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15H2,(H,23,24)
InChIKeyOPXLHKASTHOTLB-UHFFFAOYSA-N
XLogP4.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole?
The IUPAC name of 2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole (CID 139909401) is 2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole?
The canonical SMILES for 2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole is Brc1cccc(C2=NCC(c3ccccc3)(c3ccccc3)N2)c1.
What is the InChIKey of 2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole?
The InChIKey is OPXLHKASTHOTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2/c22-19-13-7-8-16(14-19)20-23-15-21(24-20,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15H2,(H,23,24).
What are the key properties of 2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole?
2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole has a molecular weight of 377.29 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5,5-diphenyl-1,4-dihydroimidazole is sourced from PubChem (CID 139909401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).