2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole

C42H26Cl4N4 — CID 19064210

IUPAC2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole
SMILESClc1ccc(C2=NC(c3ccc(Cl)cc3)(C3(c4ccc(Cl)cc4)N=C(c4ccccc4)C(c4ccc(Cl)cc4)=N3)N=C2c2ccccc2)cc1
InChIInChI=1S/C42H26Cl4N4/c43-33-19-11-29(12-20-33)39-37(27-7-3-1-4-8-27)47-41(49-39,31-15-23-35(45)24-16-31)42(32-17-25-36(46)26-18-32)48-38(28-9-5-2-6-10-28)40(50-42)30-13-21-34(44)22-14-30/h1-26H
InChIKeyXZAITEDMVJHMJN-UHFFFAOYSA-N
MW728.51 g/mol
LogP11.29
Rot. Bonds7

About 2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole

2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole (PubChem CID 19064210) has the molecular formula C42H26Cl4N4 and a molecular weight of 728.51 g/mol. Its IUPAC name is 2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole.

Molecular Properties

Compound Name2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole
PubChem CID19064210
Molecular FormulaC42H26Cl4N4
Molecular Weight728.51 g/mol
Exact Mass726.09
IUPAC Name2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole
SMILESClc1ccc(C2=NC(c3ccc(Cl)cc3)(C3(c4ccc(Cl)cc4)N=C(c4ccccc4)C(c4ccc(Cl)cc4)=N3)N=C2c2ccccc2)cc1
InChIInChI=1S/C42H26Cl4N4/c43-33-19-11-29(12-20-33)39-37(27-7-3-1-4-8-27)47-41(49-39,31-15-23-35(45)24-16-31)42(32-17-25-36(46)26-18-32)48-38(28-9-5-2-6-10-28)40(50-42)30-13-21-34(44)22-14-30/h1-26H
InChIKeyXZAITEDMVJHMJN-UHFFFAOYSA-N
XLogP11.29
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.51
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole?
The IUPAC name of 2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole (CID 19064210) is 2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole.
What is the SMILES notation for 2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole?
The canonical SMILES for 2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole is Clc1ccc(C2=NC(c3ccc(Cl)cc3)(C3(c4ccc(Cl)cc4)N=C(c4ccccc4)C(c4ccc(Cl)cc4)=N3)N=C2c2ccccc2)cc1.
What is the InChIKey of 2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole?
The InChIKey is XZAITEDMVJHMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26Cl4N4/c43-33-19-11-29(12-20-33)39-37(27-7-3-1-4-8-27)47-41(49-39,31-15-23-35(45)24-16-31)42(32-17-25-36(46)26-18-32)48-38(28-9-5-2-6-10-28)40(50-42)30-13-21-34(44)22-14-30/h1-26H.
What are the key properties of 2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole?
2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole has a molecular weight of 728.51 g/mol, XLogP of 11.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(4-chlorophenyl)-5-phenylimidazol-2-yl]-2,4-bis(4-chlorophenyl)-5-phenylimidazole is sourced from PubChem (CID 19064210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).