2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole

C29H21Cl3N2 — CID 4967082

IUPAC2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole
SMILESClc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C29H21Cl3N2/c30-24-14-12-23(13-15-24)29-33-27(21-7-3-1-4-8-21)28(22-9-5-2-6-10-22)34(29)18-17-20-11-16-25(31)19-26(20)32/h1-16,19H,17-18H2
InChIKeyBPZLMTZKAKQBCG-UHFFFAOYSA-N
MW503.86 g/mol
LogP9.09
Rot. Bonds6

About 2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole

2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole (PubChem CID 4967082) has the molecular formula C29H21Cl3N2 and a molecular weight of 503.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole
PubChem CID4967082
Molecular FormulaC29H21Cl3N2
Molecular Weight503.86 g/mol
Exact Mass502.08
IUPAC Name2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole
SMILESClc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C29H21Cl3N2/c30-24-14-12-23(13-15-24)29-33-27(21-7-3-1-4-8-21)28(22-9-5-2-6-10-22)34(29)18-17-20-11-16-25(31)19-26(20)32/h1-16,19H,17-18H2
InChIKeyBPZLMTZKAKQBCG-UHFFFAOYSA-N
XLogP9.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.86
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole (CID 4967082) is 2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole is Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole?
The InChIKey is BPZLMTZKAKQBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21Cl3N2/c30-24-14-12-23(13-15-24)29-33-27(21-7-3-1-4-8-21)28(22-9-5-2-6-10-22)34(29)18-17-20-11-16-25(31)19-26(20)32/h1-16,19H,17-18H2.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole?
2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole has a molecular weight of 503.86 g/mol, XLogP of 9.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(2,4-dichlorophenyl)ethyl]-4,5-diphenylimidazole is sourced from PubChem (CID 4967082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).