2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

C42H28Cl2N4 — CID 19064255

IUPAC2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESClc1ccc(C2(C3(c4ccc(Cl)cc4)N=C(c4ccccc4)C(c4ccccc4)=N3)N=C(c3ccccc3)C(c3ccccc3)=N2)cc1
InChIInChI=1S/C42H28Cl2N4/c43-35-25-21-33(22-26-35)41(45-37(29-13-5-1-6-14-29)38(46-41)30-15-7-2-8-16-30)42(34-23-27-36(44)28-24-34)47-39(31-17-9-3-10-18-31)40(48-42)32-19-11-4-12-20-32/h1-28H
InChIKeyOMEAWXRCPLSQPL-UHFFFAOYSA-N
MW659.62 g/mol
LogP9.98
Rot. Bonds7

About 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (PubChem CID 19064255) has the molecular formula C42H28Cl2N4 and a molecular weight of 659.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
PubChem CID19064255
Molecular FormulaC42H28Cl2N4
Molecular Weight659.62 g/mol
Exact Mass658.17
IUPAC Name2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
SMILESClc1ccc(C2(C3(c4ccc(Cl)cc4)N=C(c4ccccc4)C(c4ccccc4)=N3)N=C(c3ccccc3)C(c3ccccc3)=N2)cc1
InChIInChI=1S/C42H28Cl2N4/c43-35-25-21-33(22-26-35)41(45-37(29-13-5-1-6-14-29)38(46-41)30-15-7-2-8-16-30)42(34-23-27-36(44)28-24-34)47-39(31-17-9-3-10-18-31)40(48-42)32-19-11-4-12-20-32/h1-28H
InChIKeyOMEAWXRCPLSQPL-UHFFFAOYSA-N
XLogP9.98
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.62
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The IUPAC name of 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (CID 19064255) is 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is Clc1ccc(C2(C3(c4ccc(Cl)cc4)N=C(c4ccccc4)C(c4ccccc4)=N3)N=C(c3ccccc3)C(c3ccccc3)=N2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
The InChIKey is OMEAWXRCPLSQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28Cl2N4/c43-35-25-21-33(22-26-35)41(45-37(29-13-5-1-6-14-29)38(46-41)30-15-7-2-8-16-30)42(34-23-27-36(44)28-24-34)47-39(31-17-9-3-10-18-31)40(48-42)32-19-11-4-12-20-32/h1-28H.
What are the key properties of 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?
2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole has a molecular weight of 659.62 g/mol, XLogP of 9.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is sourced from PubChem (CID 19064255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).