bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone

C45H36Br2N4O — CID 174925723

IUPACbis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(N1C(c2ccccc2)=NC(Cc2ccccc2)C1c1ccc(Br)cc1)N1C(c2ccccc2)=NC(Cc2ccccc2)C1c1ccc(Br)cc1
InChIInChI=1S/C45H36Br2N4O/c46-37-25-21-33(22-26-37)41-39(29-31-13-5-1-6-14-31)48-43(35-17-9-3-10-18-35)50(41)45(52)51-42(34-23-27-38(47)28-24-34)40(30-32-15-7-2-8-16-32)49-44(51)36-19-11-4-12-20-36/h1-28,39-42H,29-30H2
InChIKeySDOPDIDIFOTKAH-UHFFFAOYSA-N
MW808.62 g/mol
LogP10.86
Rot. Bonds8

About bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone

bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 174925723) has the molecular formula C45H36Br2N4O and a molecular weight of 808.62 g/mol. Its IUPAC name is bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Namebis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone
PubChem CID174925723
Molecular FormulaC45H36Br2N4O
Molecular Weight808.62 g/mol
Exact Mass806.13
IUPAC Namebis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(N1C(c2ccccc2)=NC(Cc2ccccc2)C1c1ccc(Br)cc1)N1C(c2ccccc2)=NC(Cc2ccccc2)C1c1ccc(Br)cc1
InChIInChI=1S/C45H36Br2N4O/c46-37-25-21-33(22-26-37)41-39(29-31-13-5-1-6-14-31)48-43(35-17-9-3-10-18-35)50(41)45(52)51-42(34-23-27-38(47)28-24-34)40(30-32-15-7-2-8-16-32)49-44(51)36-19-11-4-12-20-36/h1-28,39-42H,29-30H2
InChIKeySDOPDIDIFOTKAH-UHFFFAOYSA-N
XLogP10.86
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.62
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone (CID 174925723) is bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone is O=C(N1C(c2ccccc2)=NC(Cc2ccccc2)C1c1ccc(Br)cc1)N1C(c2ccccc2)=NC(Cc2ccccc2)C1c1ccc(Br)cc1.
What is the InChIKey of bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is SDOPDIDIFOTKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36Br2N4O/c46-37-25-21-33(22-26-37)41-39(29-31-13-5-1-6-14-31)48-43(35-17-9-3-10-18-35)50(41)45(52)51-42(34-23-27-38(47)28-24-34)40(30-32-15-7-2-8-16-32)49-44(51)36-19-11-4-12-20-36/h1-28,39-42H,29-30H2.
What are the key properties of bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone?
bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 808.62 g/mol, XLogP of 10.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-benzyl-5-(4-bromophenyl)-2-phenyl-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 174925723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).