2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole

C36H26N4 — CID 4547410

IUPAC2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
SMILESC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C4=NC(=C(N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
InChIInChI=1S/C36H26N4/c1-5-13-25(14-6-1)31-32(26-15-7-2-8-16-26)38-35(37-31)29-21-23-30(24-22-29)36-39-33(27-17-9-3-10-18-27)34(40-36)28-19-11-4-12-20-28/h1-24H,(H,37,38)(H,39,40)
InChIKeyMKRQQXYFSWSAIS-UHFFFAOYSA-N
MW514.60 g/mol
LogP8.20
Rot. Bonds6

About 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole

2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole (PubChem CID 4547410) has the molecular formula C36H26N4 and a molecular weight of 514.60 g/mol. Its IUPAC name is 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
PubChem CID4547410
Molecular FormulaC36H26N4
Molecular Weight514.60 g/mol
Exact Mass514.22
IUPAC Name2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole
SMILESC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C4=NC(=C(N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
InChIInChI=1S/C36H26N4/c1-5-13-25(14-6-1)31-32(26-15-7-2-8-16-26)38-35(37-31)29-21-23-30(24-22-29)36-39-33(27-17-9-3-10-18-27)34(40-36)28-19-11-4-12-20-28/h1-24H,(H,37,38)(H,39,40)
InChIKeyMKRQQXYFSWSAIS-UHFFFAOYSA-N
XLogP8.20
TPSA57.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity691

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.60
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

2,4,5-Triphenylimidazole
CID 10232
4,5-Diphenyl-2-methylimidazole
CID 236696
Lifarizine
CID 71336
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
2,6,8-triphenyl-9H-purine
CID 11462181
4-(4,5-Diphenyl-1H-imidazol-2-yl)-N,N-dimethylaniline
CID 237339
1H-Benzimidazole, 2-(1,1'-biphenyl)-4-yl-
CID 142779
1H-Imidazol-2-amine, 4,5-diphenyl-
CID 616595
4-[6-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 1365597
2-(naphthalen-1-yl)-4,5-diphenyl-1H-imidazole
CID 1797235
2-(4-fluorophenyl)-4,5-diphenyl-1H-imidazole
CID 800028
4-(6-{[2-(4-Aminophenyl)benzimidazol-6-yl]methyl}benzimidazol-2-yl)phenylamine
CID 1160282

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole (CID 4547410) is 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole is C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)C4=NC(=C(N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.
What is the InChIKey of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is MKRQQXYFSWSAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c1-5-13-25(14-6-1)31-32(26-15-7-2-8-16-26)38-35(37-31)29-21-23-30(24-22-29)36-39-33(27-17-9-3-10-18-27)34(40-36)28-19-11-4-12-20-28/h1-24H,(H,37,38)(H,39,40).
What are the key properties of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole?
2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 514.60 g/mol, XLogP of 8.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 4547410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).