2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole

C45H34Cl2N4 — CID 167337921

IUPAC2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole
SMILESClc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1CCCC1(c2ccccc2Cl)N=C(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C45H34Cl2N4/c46-38-28-15-13-26-36(38)44-48-42(34-22-9-3-10-23-34)43(35-24-11-4-12-25-35)51(44)31-17-30-45(37-27-14-16-29-39(37)47)49-40(32-18-5-1-6-19-32)41(50-45)33-20-7-2-8-21-33/h1-16,18-29H,17,30-31H2
InChIKeyUIBMNEGYALGWSV-UHFFFAOYSA-N
MW701.70 g/mol
LogP11.82
Rot. Bonds10

About 2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole

2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole (PubChem CID 167337921) has the molecular formula C45H34Cl2N4 and a molecular weight of 701.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole
PubChem CID167337921
Molecular FormulaC45H34Cl2N4
Molecular Weight701.70 g/mol
Exact Mass700.22
IUPAC Name2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole
SMILESClc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1CCCC1(c2ccccc2Cl)N=C(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C45H34Cl2N4/c46-38-28-15-13-26-36(38)44-48-42(34-22-9-3-10-23-34)43(35-24-11-4-12-25-35)51(44)31-17-30-45(37-27-14-16-29-39(37)47)49-40(32-18-5-1-6-19-32)41(50-45)33-20-7-2-8-21-33/h1-16,18-29H,17,30-31H2
InChIKeyUIBMNEGYALGWSV-UHFFFAOYSA-N
XLogP11.82
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.70
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole
CID 154439864
2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-hexa-1,3,5-trien-3-yl-5-phenylimidazol-2-yl]-4,5-diphenylimidazole
CID 123828020
[4-[2,5-bis(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]imidazol-4-yl]-2-methoxyphenyl]methanol
CID 166512006
2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]imidazol-2-yl]-4,5-bis[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]imidazole
CID 166739433
2-[2-[2-(3-aminophenyl)phenyl]-4,5-diphenylimidazol-1-yl]ethanol
CID 20577222
[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
3-[2-(4,5-diphenyl-1-propylimidazol-2-yl)phenyl]aniline
CID 20577315
2-[4-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-bis[4-(3-methylbutoxy)phenyl]imidazol-2-yl]-5-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-4-yl]phenoxy]-N,N-dimethylethanamine
CID 161073436
7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid
CID 22916430
[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate
CID 150918707
2-(2-chlorophenyl)-1-[1-(2-chlorophenyl)ethyl]-4,5-diphenylimidazole
CID 142084638
2-(2-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 20577238

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole (CID 167337921) is 2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole is Clc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1CCCC1(c2ccccc2Cl)N=C(c2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole?
The InChIKey is UIBMNEGYALGWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34Cl2N4/c46-38-28-15-13-26-36(38)44-48-42(34-22-9-3-10-23-34)43(35-24-11-4-12-25-35)51(44)31-17-30-45(37-27-14-16-29-39(37)47)49-40(32-18-5-1-6-19-32)41(50-45)33-20-7-2-8-21-33/h1-16,18-29H,17,30-31H2.
What are the key properties of 2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole?
2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole has a molecular weight of 701.70 g/mol, XLogP of 11.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[3-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-yl]propyl]-4,5-diphenylimidazole is sourced from PubChem (CID 167337921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).