2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole

C54H42N6 — CID 66661219

IUPAC2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole
SMILESc1ccc(Cc2nc(-c3cc(-c4cn(-c5ccccc5)c(Cc5ccccc5)n4)cc(-c4cn(-c5ccccc5)c(Cc5ccccc5)n4)c3)cn2-c2ccccc2)cc1
InChIInChI=1S/C54H42N6/c1-7-19-40(20-8-1)31-52-55-49(37-58(52)46-25-13-4-14-26-46)43-34-44(50-38-59(47-27-15-5-16-28-47)53(56-50)32-41-21-9-2-10-22-41)36-45(35-43)51-39-60(48-29-17-6-18-30-48)54(57-51)33-42-23-11-3-12-24-42/h1-30,34-39H,31-33H2
InChIKeyYUUGIGDGMGMUBA-UHFFFAOYSA-N
MW774.97 g/mol
LogP12.02
Rot. Bonds12

About 2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole

2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole (PubChem CID 66661219) has the molecular formula C54H42N6 and a molecular weight of 774.97 g/mol. Its IUPAC name is 2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole.

Molecular Properties

Compound Name2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole
PubChem CID66661219
Molecular FormulaC54H42N6
Molecular Weight774.97 g/mol
Exact Mass774.35
IUPAC Name2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole
SMILESc1ccc(Cc2nc(-c3cc(-c4cn(-c5ccccc5)c(Cc5ccccc5)n4)cc(-c4cn(-c5ccccc5)c(Cc5ccccc5)n4)c3)cn2-c2ccccc2)cc1
InChIInChI=1S/C54H42N6/c1-7-19-40(20-8-1)31-52-55-49(37-58(52)46-25-13-4-14-26-46)43-34-44(50-38-59(47-27-15-5-16-28-47)53(56-50)32-41-21-9-2-10-22-41)36-45(35-43)51-39-60(48-29-17-6-18-30-48)54(57-51)33-42-23-11-3-12-24-42/h1-30,34-39H,31-33H2
InChIKeyYUUGIGDGMGMUBA-UHFFFAOYSA-N
XLogP12.02
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.97
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole 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 2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole?
The IUPAC name of 2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole (CID 66661219) is 2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole.
What is the SMILES notation for 2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole?
The canonical SMILES for 2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole is c1ccc(Cc2nc(-c3cc(-c4cn(-c5ccccc5)c(Cc5ccccc5)n4)cc(-c4cn(-c5ccccc5)c(Cc5ccccc5)n4)c3)cn2-c2ccccc2)cc1.
What is the InChIKey of 2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole?
The InChIKey is YUUGIGDGMGMUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N6/c1-7-19-40(20-8-1)31-52-55-49(37-58(52)46-25-13-4-14-26-46)43-34-44(50-38-59(47-27-15-5-16-28-47)53(56-50)32-41-21-9-2-10-22-41)36-45(35-43)51-39-60(48-29-17-6-18-30-48)54(57-51)33-42-23-11-3-12-24-42/h1-30,34-39H,31-33H2.
What are the key properties of 2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole?
2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole has a molecular weight of 774.97 g/mol, XLogP of 12.02, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[3,5-bis(2-benzyl-1-phenylimidazol-4-yl)phenyl]-1-phenylimidazole is sourced from PubChem (CID 66661219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).