2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole

C27H18Cl2N2 — CID 58038056

IUPAC2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole
SMILESClc1ccc(Cl)c(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C27H18Cl2N2/c28-20-15-16-24(29)23(17-20)21-13-7-8-14-22(21)27-30-25(18-9-3-1-4-10-18)26(31-27)19-11-5-2-6-12-19/h1-17H,(H,30,31)
InChIKeyOVGULUOJQQHYHN-UHFFFAOYSA-N
MW441.36 g/mol
LogP8.38
Rot. Bonds4

About 2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole

2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole (PubChem CID 58038056) has the molecular formula C27H18Cl2N2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole
PubChem CID58038056
Molecular FormulaC27H18Cl2N2
Molecular Weight441.36 g/mol
Exact Mass440.08
IUPAC Name2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole
SMILESClc1ccc(Cl)c(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C27H18Cl2N2/c28-20-15-16-24(29)23(17-20)21-13-7-8-14-22(21)27-30-25(18-9-3-1-4-10-18)26(31-27)19-11-5-2-6-12-19/h1-17H,(H,30,31)
InChIKeyOVGULUOJQQHYHN-UHFFFAOYSA-N
XLogP8.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 58.38
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole (CID 58038056) is 2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole is Clc1ccc(Cl)c(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole?
The InChIKey is OVGULUOJQQHYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2N2/c28-20-15-16-24(29)23(17-20)21-13-7-8-14-22(21)27-30-25(18-9-3-1-4-10-18)26(31-27)19-11-5-2-6-12-19/h1-17H,(H,30,31).
What are the key properties of 2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole?
2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole has a molecular weight of 441.36 g/mol, XLogP of 8.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 58038056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).