2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole

C42H18Cl12N4 — CID 22146464

IUPAC2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole
SMILESClc1ccc(C2=NC(c3ccc(Cl)cc3Cl)(C3(c4ccc(Cl)cc4Cl)N=C(c4ccc(Cl)cc4Cl)C(c4ccc(Cl)cc4Cl)=N3)N=C2c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C42H18Cl12N4/c43-19-1-7-25(31(49)13-19)37-38(26-8-2-20(44)14-32(26)50)56-41(55-37,29-11-5-23(47)17-35(29)53)42(30-12-6-24(48)18-36(30)54)57-39(27-9-3-21(45)15-33(27)51)40(58-42)28-10-4-22(46)16-34(28)52/h1-18H
InChIKeyPLQHCTVWFWTHOX-UHFFFAOYSA-N
MW1004.07 g/mol
LogP16.52
Rot. Bonds7

About 2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole

2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole (PubChem CID 22146464) has the molecular formula C42H18Cl12N4 and a molecular weight of 1004.07 g/mol. Its IUPAC name is 2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole.

Molecular Properties

Compound Name2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole
PubChem CID22146464
Molecular FormulaC42H18Cl12N4
Molecular Weight1004.07 g/mol
Exact Mass997.78
IUPAC Name2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole
SMILESClc1ccc(C2=NC(c3ccc(Cl)cc3Cl)(C3(c4ccc(Cl)cc4Cl)N=C(c4ccc(Cl)cc4Cl)C(c4ccc(Cl)cc4Cl)=N3)N=C2c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C42H18Cl12N4/c43-19-1-7-25(31(49)13-19)37-38(26-8-2-20(44)14-32(26)50)56-41(55-37,29-11-5-23(47)17-35(29)53)42(30-12-6-24(48)18-36(30)54)57-39(27-9-3-21(45)15-33(27)51)40(58-42)28-10-4-22(46)16-34(28)52/h1-18H
InChIKeyPLQHCTVWFWTHOX-UHFFFAOYSA-N
XLogP16.52
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.07
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole?
The IUPAC name of 2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole (CID 22146464) is 2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole.
What is the SMILES notation for 2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole?
The canonical SMILES for 2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole is Clc1ccc(C2=NC(c3ccc(Cl)cc3Cl)(C3(c4ccc(Cl)cc4Cl)N=C(c4ccc(Cl)cc4Cl)C(c4ccc(Cl)cc4Cl)=N3)N=C2c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole?
The InChIKey is PLQHCTVWFWTHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H18Cl12N4/c43-19-1-7-25(31(49)13-19)37-38(26-8-2-20(44)14-32(26)50)56-41(55-37,29-11-5-23(47)17-35(29)53)42(30-12-6-24(48)18-36(30)54)57-39(27-9-3-21(45)15-33(27)51)40(58-42)28-10-4-22(46)16-34(28)52/h1-18H.
What are the key properties of 2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole?
2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole has a molecular weight of 1004.07 g/mol, XLogP of 16.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris(2,4-dichlorophenyl)-2-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole is sourced from PubChem (CID 22146464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).