2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole

C42H18Cl12N4 — CID 87090048

IUPAC2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole
SMILESClc1ccc(C2=NC(c3ccc(Cl)cc3Cl)(n3c(-c4ccc(Cl)cc4Cl)nc(-c4ccc(Cl)cc4Cl)c3-c3ccc(Cl)cc3Cl)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)57-42(56-37,30-12-6-24(48)18-36(30)54)58-40(28-10-4-22(46)16-34(28)52)39(27-9-3-21(45)15-33(27)51)55-41(58)29-11-5-23(47)17-35(29)53/h1-18H
InChIKeySYFPWTCEUJUFEX-UHFFFAOYSA-N
MW1004.07 g/mol
LogP17.38
Rot. Bonds7

About 2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole

2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole (PubChem CID 87090048) 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)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole.

Molecular Properties

Compound Name2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole
PubChem CID87090048
Molecular FormulaC42H18Cl12N4
Molecular Weight1004.07 g/mol
Exact Mass997.78
IUPAC Name2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole
SMILESClc1ccc(C2=NC(c3ccc(Cl)cc3Cl)(n3c(-c4ccc(Cl)cc4Cl)nc(-c4ccc(Cl)cc4Cl)c3-c3ccc(Cl)cc3Cl)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)57-42(56-37,30-12-6-24(48)18-36(30)54)58-40(28-10-4-22(46)16-34(28)52)39(27-9-3-21(45)15-33(27)51)55-41(58)29-11-5-23(47)17-35(29)53/h1-18H
InChIKeySYFPWTCEUJUFEX-UHFFFAOYSA-N
XLogP17.38
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.07
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine
CID 133088206
2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737
2-(2,4-dichlorophenyl)-1,4,5-trimethylimidazole
CID 102416631
2-(2,4-dichlorophenyl)-3,5-dimethylpyridine
CID 12513322
2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
CID 46177844
2-(2,4-dichlorophenyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 118836217
4-bromo-3-(2,4-dichlorophenyl)-5-methyl-1,2-thiazole
CID 22087237
3-(2,4-dichlorophenyl)-1-methyl-6-(trifluoromethyl)pyrazin-2-one
CID 19365488
3-(2,4-dichlorophenyl)-2,5-dimethyl-1-oxidopyrazin-1-ium
CID 22147291
4-(2,4-dichlorophenyl)pyrazolo[5,1-f][1,2,4]triazin-2-amine
CID 126962350
2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118841877
[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine
CID 84610147

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole?
The IUPAC name of 2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole (CID 87090048) is 2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole.
What is the SMILES notation for 2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole?
The canonical SMILES for 2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole is Clc1ccc(C2=NC(c3ccc(Cl)cc3Cl)(n3c(-c4ccc(Cl)cc4Cl)nc(-c4ccc(Cl)cc4Cl)c3-c3ccc(Cl)cc3Cl)N=C2c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole?
The InChIKey is SYFPWTCEUJUFEX-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)57-42(56-37,30-12-6-24(48)18-36(30)54)58-40(28-10-4-22(46)16-34(28)52)39(27-9-3-21(45)15-33(27)51)55-41(58)29-11-5-23(47)17-35(29)53/h1-18H.
What are the key properties of 2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole?
2,4,5-tris(2,4-dichlorophenyl)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole has a molecular weight of 1004.07 g/mol, XLogP of 17.38, 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)-1-[2,4,5-tris(2,4-dichlorophenyl)imidazol-2-yl]imidazole is sourced from PubChem (CID 87090048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).