4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole

C21H12Cl4N2 — CID 134119534

IUPAC4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole
SMILESClc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H12Cl4N2/c22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)27-21(26-19)14-5-10-17(24)18(25)11-14/h1-11H,(H,26,27)
InChIKeyBYBPVIBMHBTNRA-UHFFFAOYSA-N
MW434.15 g/mol
LogP8.02
Rot. Bonds3

About 4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole

4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole (PubChem CID 134119534) has the molecular formula C21H12Cl4N2 and a molecular weight of 434.15 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole
PubChem CID134119534
Molecular FormulaC21H12Cl4N2
Molecular Weight434.15 g/mol
Exact Mass431.98
IUPAC Name4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole
SMILESClc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H12Cl4N2/c22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)27-21(26-19)14-5-10-17(24)18(25)11-14/h1-11H,(H,26,27)
InChIKeyBYBPVIBMHBTNRA-UHFFFAOYSA-N
XLogP8.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.15
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-2-naphthalen-2-yl-4-phenyl-1H-imidazole
CID 138455379
4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54172042
4-[4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
CID 10664282
4-[4-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 10091882
4,5-bis(4-chlorophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 2832814
2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene
CID 174850878
2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 58038056
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995
2-(4-chloro-3-nitrophenyl)-4-(3-chlorophenyl)-5-phenyl-1H-imidazole
CID 3796368

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole (CID 134119534) is 4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole is Clc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole?
The InChIKey is BYBPVIBMHBTNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl4N2/c22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)27-21(26-19)14-5-10-17(24)18(25)11-14/h1-11H,(H,26,27).
What are the key properties of 4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole?
4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole has a molecular weight of 434.15 g/mol, XLogP of 8.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazole is sourced from PubChem (CID 134119534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).