1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine

C42H28Cl6N4 — CID 87793099

IUPAC1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine
SMILESClc1cc(Cl)c(C2(c3c(Cl)cc(Cl)cc3Cl)NC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)N2c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C42H28Cl6N4/c43-31-23-33(45)37(34(46)24-31)42(38-35(47)25-32(44)26-36(38)48)51-40(27-13-5-1-6-14-27,28-15-7-2-8-16-28)41(29-17-9-3-10-18-29,30-19-11-4-12-20-30)52(42)39-49-21-22-50-39/h1-26,51H,(H,49,50)
InChIKeyFTXGRONSTGCVOP-UHFFFAOYSA-N
MW801.43 g/mol
LogP12.53
Rot. Bonds7

About 1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine

1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine (PubChem CID 87793099) has the molecular formula C42H28Cl6N4 and a molecular weight of 801.43 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine
PubChem CID87793099
Molecular FormulaC42H28Cl6N4
Molecular Weight801.43 g/mol
Exact Mass798.04
IUPAC Name1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine
SMILESClc1cc(Cl)c(C2(c3c(Cl)cc(Cl)cc3Cl)NC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)N2c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C42H28Cl6N4/c43-31-23-33(45)37(34(46)24-31)42(38-35(47)25-32(44)26-36(38)48)51-40(27-13-5-1-6-14-27,28-15-7-2-8-16-28)41(29-17-9-3-10-18-29,30-19-11-4-12-20-30)52(42)39-49-21-22-50-39/h1-26,51H,(H,49,50)
InChIKeyFTXGRONSTGCVOP-UHFFFAOYSA-N
XLogP12.53
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.43
LogP ≤ 512.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine?
The IUPAC name of 1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine (CID 87793099) is 1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine is Clc1cc(Cl)c(C2(c3c(Cl)cc(Cl)cc3Cl)NC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)N2c2ncc[nH]2)c(Cl)c1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine?
The InChIKey is FTXGRONSTGCVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28Cl6N4/c43-31-23-33(45)37(34(46)24-31)42(38-35(47)25-32(44)26-36(38)48)51-40(27-13-5-1-6-14-27,28-15-7-2-8-16-28)41(29-17-9-3-10-18-29,30-19-11-4-12-20-30)52(42)39-49-21-22-50-39/h1-26,51H,(H,49,50).
What are the key properties of 1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine?
1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine has a molecular weight of 801.43 g/mol, XLogP of 12.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenyl-2,2-bis(2,4,6-trichlorophenyl)imidazolidine is sourced from PubChem (CID 87793099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).