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

C42H24Cl6N4 — CID 22146469

IUPAC2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole
SMILESClc1ccc(C2=NC(c3ccccc3Cl)(C3(c4ccccc4Cl)N=C(c4ccc(Cl)cc4)C(c4ccc(Cl)cc4)=N3)N=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C42H24Cl6N4/c43-29-17-9-25(10-18-29)37-38(26-11-19-30(44)20-12-26)50-41(49-37,33-5-1-3-7-35(33)47)42(34-6-2-4-8-36(34)48)51-39(27-13-21-31(45)22-14-27)40(52-42)28-15-23-32(46)24-16-28/h1-24H
InChIKeyVCPXGICPARDNEO-UHFFFAOYSA-N
MW797.40 g/mol
LogP12.60
Rot. Bonds7

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

2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole (PubChem CID 22146469) has the molecular formula C42H24Cl6N4 and a molecular weight of 797.40 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole
PubChem CID22146469
Molecular FormulaC42H24Cl6N4
Molecular Weight797.40 g/mol
Exact Mass794.01
IUPAC Name2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole
SMILESClc1ccc(C2=NC(c3ccccc3Cl)(C3(c4ccccc4Cl)N=C(c4ccc(Cl)cc4)C(c4ccc(Cl)cc4)=N3)N=C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C42H24Cl6N4/c43-29-17-9-25(10-18-29)37-38(26-11-19-30(44)20-12-26)50-41(49-37,33-5-1-3-7-35(33)47)42(34-6-2-4-8-36(34)48)51-39(27-13-21-31(45)22-14-27)40(52-42)28-15-23-32(46)24-16-28/h1-24H
InChIKeyVCPXGICPARDNEO-UHFFFAOYSA-N
XLogP12.60
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.40
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole?
The IUPAC name of 2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole (CID 22146469) is 2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole?
The canonical SMILES for 2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole is Clc1ccc(C2=NC(c3ccccc3Cl)(C3(c4ccccc4Cl)N=C(c4ccc(Cl)cc4)C(c4ccc(Cl)cc4)=N3)N=C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole?
The InChIKey is VCPXGICPARDNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24Cl6N4/c43-29-17-9-25(10-18-29)37-38(26-11-19-30(44)20-12-26)50-41(49-37,33-5-1-3-7-35(33)47)42(34-6-2-4-8-36(34)48)51-39(27-13-21-31(45)22-14-27)40(52-42)28-15-23-32(46)24-16-28/h1-24H.
What are the key properties of 2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole?
2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole has a molecular weight of 797.40 g/mol, XLogP of 12.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)-2-[2-(2-chlorophenyl)-4,5-bis(4-chlorophenyl)imidazol-2-yl]imidazole is sourced from PubChem (CID 22146469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).