2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane

C46H39Cl3N4O — CID 162284056

IUPAC2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane
SMILESCC.COc1cc(-c2nc(-c3ccccc3Cl)[nH]c2-c2ccccc2Cl)ccc1C.Clc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C23H18Cl2N2O.C21H15ClN2.C2H6/c1-14-11-12-15(13-20(14)28-2)21-22(16-7-3-5-9-18(16)24)27-23(26-21)17-8-4-6-10-19(17)25;22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16;1-2/h3-13H,1-2H3,(H,26,27);1-14H,(H,23,24);1-2H3
InChIKeyVUWMGXOZMQDEHG-UHFFFAOYSA-N
MW770.20 g/mol
LogP14.12
Rot. Bonds7

About 2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane

2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane (PubChem CID 162284056) has the molecular formula C46H39Cl3N4O and a molecular weight of 770.20 g/mol. Its IUPAC name is 2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane.

Molecular Properties

Compound Name2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane
PubChem CID162284056
Molecular FormulaC46H39Cl3N4O
Molecular Weight770.20 g/mol
Exact Mass768.22
IUPAC Name2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane
SMILESCC.COc1cc(-c2nc(-c3ccccc3Cl)[nH]c2-c2ccccc2Cl)ccc1C.Clc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C23H18Cl2N2O.C21H15ClN2.C2H6/c1-14-11-12-15(13-20(14)28-2)21-22(16-7-3-5-9-18(16)24)27-23(26-21)17-8-4-6-10-19(17)25;22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16;1-2/h3-13H,1-2H3,(H,26,27);1-14H,(H,23,24);1-2H3
InChIKeyVUWMGXOZMQDEHG-UHFFFAOYSA-N
XLogP14.12
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.20
LogP ≤ 514.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane?
The IUPAC name of 2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane (CID 162284056) is 2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane.
What is the SMILES notation for 2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane?
The canonical SMILES for 2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane is CC.COc1cc(-c2nc(-c3ccccc3Cl)[nH]c2-c2ccccc2Cl)ccc1C.Clc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane?
The InChIKey is VUWMGXOZMQDEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O.C21H15ClN2.C2H6/c1-14-11-12-15(13-20(14)28-2)21-22(16-7-3-5-9-18(16)24)27-23(26-21)17-8-4-6-10-19(17)25;22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16;1-2/h3-13H,1-2H3,(H,26,27);1-14H,(H,23,24);1-2H3.
What are the key properties of 2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane?
2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane has a molecular weight of 770.20 g/mol, XLogP of 14.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-chlorophenyl)-4-(3-methoxy-4-methylphenyl)-1H-imidazole;2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole;ethane is sourced from PubChem (CID 162284056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).