2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole

C36H25ClN4 — CID 154439864

IUPAC2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole
SMILESClc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1N=C(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C36H25ClN4/c37-30-24-14-13-23-29(30)35-38-33(27-19-9-3-10-20-27)34(28-21-11-4-12-22-28)41(35)36-39-31(25-15-5-1-6-16-25)32(40-36)26-17-7-2-8-18-26/h1-24,36H
InChIKeyQBISTIRGMNKKEK-UHFFFAOYSA-N
MW549.08 g/mol
LogP8.99
Rot. Bonds6

About 2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole

2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole (PubChem CID 154439864) has the molecular formula C36H25ClN4 and a molecular weight of 549.08 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole
PubChem CID154439864
Molecular FormulaC36H25ClN4
Molecular Weight549.08 g/mol
Exact Mass548.18
IUPAC Name2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole
SMILESClc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1N=C(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C36H25ClN4/c37-30-24-14-13-23-29(30)35-38-33(27-19-9-3-10-20-27)34(28-21-11-4-12-22-28)41(35)36-39-31(25-15-5-1-6-16-25)32(40-36)26-17-7-2-8-18-26/h1-24,36H
InChIKeyQBISTIRGMNKKEK-UHFFFAOYSA-N
XLogP8.99
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.08
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-[1-(2-chlorophenyl)ethyl]-4,5-diphenylimidazole
CID 142084638
2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole
CID 167337921
[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate
CID 150918707
2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole
CID 123828020
1-(2-chlorophenyl)-2-methyl-4,5-diphenylimidazole
CID 19902800
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazole
CID 58599119
5-methyl-2,3-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 13126838
1-tert-butyl-2,4,5-triphenylimidazole
CID 142519119
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
[3-(4-benzoylphenoxy)-2-hydroxyprop-1-enyl]-trimethylazanium;2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole;chloride;hydrate
CID 158641729

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole (CID 154439864) is 2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole is Clc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1N=C(c2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole?
The InChIKey is QBISTIRGMNKKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25ClN4/c37-30-24-14-13-23-29(30)35-38-33(27-19-9-3-10-20-27)34(28-21-11-4-12-22-28)41(35)36-39-31(25-15-5-1-6-16-25)32(40-36)26-17-7-2-8-18-26/h1-24,36H.
What are the key properties of 2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole?
2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole has a molecular weight of 549.08 g/mol, XLogP of 8.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole is sourced from PubChem (CID 154439864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).