2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine

C42H32Cl2N4 — CID 66720375

IUPAC2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine
SMILESClc1ccccc1C1(c2ccccc2Cl)NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)N1c1ncc[nH]1
InChIInChI=1S/C42H32Cl2N4/c43-37-27-15-13-25-35(37)42(36-26-14-16-28-38(36)44)47-40(31-17-5-1-6-18-31,32-19-7-2-8-20-32)41(33-21-9-3-10-22-33,34-23-11-4-12-24-34)48(42)39-45-29-30-46-39/h1-30,47H,(H,45,46)
InChIKeyMTXDJBGOUGCCIT-UHFFFAOYSA-N
MW663.65 g/mol
LogP9.91
Rot. Bonds7

About 2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine

2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine (PubChem CID 66720375) has the molecular formula C42H32Cl2N4 and a molecular weight of 663.65 g/mol. Its IUPAC name is 2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine.

Molecular Properties

Compound Name2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine
PubChem CID66720375
Molecular FormulaC42H32Cl2N4
Molecular Weight663.65 g/mol
Exact Mass662.20
IUPAC Name2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine
SMILESClc1ccccc1C1(c2ccccc2Cl)NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)N1c1ncc[nH]1
InChIInChI=1S/C42H32Cl2N4/c43-37-27-15-13-25-35(37)42(36-26-14-16-28-38(36)44)47-40(31-17-5-1-6-18-31,32-19-7-2-8-20-32)41(33-21-9-3-10-22-33,34-23-11-4-12-24-34)48(42)39-45-29-30-46-39/h1-30,47H,(H,45,46)
InChIKeyMTXDJBGOUGCCIT-UHFFFAOYSA-N
XLogP9.91
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.65
LogP ≤ 59.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine?
The IUPAC name of 2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine (CID 66720375) is 2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine.
What is the SMILES notation for 2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine?
The canonical SMILES for 2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine is Clc1ccccc1C1(c2ccccc2Cl)NC(c2ccccc2)(c2ccccc2)C(c2ccccc2)(c2ccccc2)N1c1ncc[nH]1.
What is the InChIKey of 2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine?
The InChIKey is MTXDJBGOUGCCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32Cl2N4/c43-37-27-15-13-25-35(37)42(36-26-14-16-28-38(36)44)47-40(31-17-5-1-6-18-31,32-19-7-2-8-20-32)41(33-21-9-3-10-22-33,34-23-11-4-12-24-34)48(42)39-45-29-30-46-39/h1-30,47H,(H,45,46).
What are the key properties of 2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine?
2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine has a molecular weight of 663.65 g/mol, XLogP of 9.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-chlorophenyl)-1-(1H-imidazol-2-yl)-4,4,5,5-tetraphenylimidazolidine is sourced from PubChem (CID 66720375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).