2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole

C42H26Cl4N4 — CID 67217036

IUPAC2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole
SMILESClc1ccc(-c2cc(-c3ccccc3)ccc2-c2cnc(C3(c4ccc(Cl)cc4Cl)N=C(c4ccccc4)C(c4ccccc4)=N3)[nH]2)c(Cl)c1
InChIInChI=1S/C42H26Cl4N4/c43-30-17-20-32(36(45)23-30)34-22-29(26-10-4-1-5-11-26)16-19-33(34)38-25-47-41(48-38)42(35-21-18-31(44)24-37(35)46)49-39(27-12-6-2-7-13-27)40(50-42)28-14-8-3-9-15-28/h1-25H,(H,47,48)
InChIKeyUGKXYHGIAPHDOT-UHFFFAOYSA-N
MW728.51 g/mol
LogP12.22
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole

2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole (PubChem CID 67217036) has the molecular formula C42H26Cl4N4 and a molecular weight of 728.51 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole
PubChem CID67217036
Molecular FormulaC42H26Cl4N4
Molecular Weight728.51 g/mol
Exact Mass726.09
IUPAC Name2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole
SMILESClc1ccc(-c2cc(-c3ccccc3)ccc2-c2cnc(C3(c4ccc(Cl)cc4Cl)N=C(c4ccccc4)C(c4ccccc4)=N3)[nH]2)c(Cl)c1
InChIInChI=1S/C42H26Cl4N4/c43-30-17-20-32(36(45)23-30)34-22-29(26-10-4-1-5-11-26)16-19-33(34)38-25-47-41(48-38)42(35-21-18-31(44)24-37(35)46)49-39(27-12-6-2-7-13-27)40(50-42)28-14-8-3-9-15-28/h1-25H,(H,47,48)
InChIKeyUGKXYHGIAPHDOT-UHFFFAOYSA-N
XLogP12.22
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.51
LogP ≤ 512.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-tert-Butyl-phenyl)-2-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 9843239
N-(4-Chloro-benzyl)-2-[4-(1H-imidazol-4-ylmethyl)-phenyl]-acetamidine
CID 9997296
N-(4-Chloro-benzyl)-4-(1H-imidazol-4-ylmethyl)-benzamidine
CID 10087654
4-[2,5-Bis-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10338890
1-[3-(2,4-dichlorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660372
N-(4-Chloro-benzyl)-3-[4-(1H-imidazol-4-ylmethyl)-phenyl]-propionamidine
CID 23368240
4-[5-(4-Butyl-phenyl)-2-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 44318934
4-(4-chlorophenyl)-2-phenyl-1H-imidazole
CID 12143260
4-[5-Biphenyl-4-yl-2-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 44318935
4-[5-Biphenyl-3-yl-2-(4-chloro-phenyl)-3H-imidazol-4-yl]-pyridine
CID 44319496
2-(2-chloro-6-fluorophenyl)-5-[4-(2-phenylethynyl)phenyl]-1H-imidazole
CID 50908895
2-(2-chloro-6-fluorophenyl)-5-(4-phenylphenyl)-1H-imidazole
CID 52941219

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole (CID 67217036) is 2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole is Clc1ccc(-c2cc(-c3ccccc3)ccc2-c2cnc(C3(c4ccc(Cl)cc4Cl)N=C(c4ccccc4)C(c4ccccc4)=N3)[nH]2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole?
The InChIKey is UGKXYHGIAPHDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26Cl4N4/c43-30-17-20-32(36(45)23-30)34-22-29(26-10-4-1-5-11-26)16-19-33(34)38-25-47-41(48-38)42(35-21-18-31(44)24-37(35)46)49-39(27-12-6-2-7-13-27)40(50-42)28-14-8-3-9-15-28/h1-25H,(H,47,48).
What are the key properties of 2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole?
2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole has a molecular weight of 728.51 g/mol, XLogP of 12.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-[5-[2-(2,4-dichlorophenyl)-4-phenylphenyl]-1H-imidazol-2-yl]-4,5-diphenylimidazole is sourced from PubChem (CID 67217036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).