2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole

C46H36Cl2N4 — CID 19064219

IUPAC2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole
SMILESCc1cccc(C2=NC(c3ccccc3Cl)(C3(c4ccccc4Cl)N=C(c4cccc(C)c4)C(c4cccc(C)c4)=N3)N=C2c2cccc(C)c2)c1
InChIInChI=1S/C46H36Cl2N4/c1-29-13-9-17-33(25-29)41-42(34-18-10-14-30(2)26-34)50-45(49-41,37-21-5-7-23-39(37)47)46(38-22-6-8-24-40(38)48)51-43(35-19-11-15-31(3)27-35)44(52-46)36-20-12-16-32(4)28-36/h5-28H,1-4H3
InChIKeyJHPFKRUQLUWIQG-UHFFFAOYSA-N
MW715.73 g/mol
LogP11.22
Rot. Bonds7

About 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole

2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole (PubChem CID 19064219) has the molecular formula C46H36Cl2N4 and a molecular weight of 715.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole
PubChem CID19064219
Molecular FormulaC46H36Cl2N4
Molecular Weight715.73 g/mol
Exact Mass714.23
IUPAC Name2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole
SMILESCc1cccc(C2=NC(c3ccccc3Cl)(C3(c4ccccc4Cl)N=C(c4cccc(C)c4)C(c4cccc(C)c4)=N3)N=C2c2cccc(C)c2)c1
InChIInChI=1S/C46H36Cl2N4/c1-29-13-9-17-33(25-29)41-42(34-18-10-14-30(2)26-34)50-45(49-41,37-21-5-7-23-39(37)47)46(38-22-6-8-24-40(38)48)51-43(35-19-11-15-31(3)27-35)44(52-46)36-20-12-16-32(4)28-36/h5-28H,1-4H3
InChIKeyJHPFKRUQLUWIQG-UHFFFAOYSA-N
XLogP11.22
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.73
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole?
The IUPAC name of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole (CID 19064219) is 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole?
The canonical SMILES for 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole is Cc1cccc(C2=NC(c3ccccc3Cl)(C3(c4ccccc4Cl)N=C(c4cccc(C)c4)C(c4cccc(C)c4)=N3)N=C2c2cccc(C)c2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole?
The InChIKey is JHPFKRUQLUWIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36Cl2N4/c1-29-13-9-17-33(25-29)41-42(34-18-10-14-30(2)26-34)50-45(49-41,37-21-5-7-23-39(37)47)46(38-22-6-8-24-40(38)48)51-43(35-19-11-15-31(3)27-35)44(52-46)36-20-12-16-32(4)28-36/h5-28H,1-4H3.
What are the key properties of 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole?
2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole has a molecular weight of 715.73 g/mol, XLogP of 11.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(3-methylphenyl)imidazol-2-yl]-4,5-bis(3-methylphenyl)imidazole is sourced from PubChem (CID 19064219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).