1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine

C16H13Cl5N2 — CID 3041243

IUPAC1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine
SMILESClc1ccc(N2CCN(c3ccc(Cl)cc3)C2C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H13Cl5N2/c17-11-1-5-13(6-2-11)22-9-10-23(15(22)16(19,20)21)14-7-3-12(18)4-8-14/h1-8,15H,9-10H2
InChIKeyOZAXVHLTMCULJL-UHFFFAOYSA-N
MW410.56 g/mol
LogP6.02
Rot. Bonds2

About 1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine

1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine (PubChem CID 3041243) has the molecular formula C16H13Cl5N2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine.

Molecular Properties

Compound Name1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine
PubChem CID3041243
Molecular FormulaC16H13Cl5N2
Molecular Weight410.56 g/mol
Exact Mass407.95
IUPAC Name1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine
SMILESClc1ccc(N2CCN(c3ccc(Cl)cc3)C2C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H13Cl5N2/c17-11-1-5-13(6-2-11)22-9-10-23(15(22)16(19,20)21)14-7-3-12(18)4-8-14/h1-8,15H,9-10H2
InChIKeyOZAXVHLTMCULJL-UHFFFAOYSA-N
XLogP6.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine?
The IUPAC name of 1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine (CID 3041243) is 1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine.
What is the SMILES notation for 1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine?
The canonical SMILES for 1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine is Clc1ccc(N2CCN(c3ccc(Cl)cc3)C2C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine?
The InChIKey is OZAXVHLTMCULJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl5N2/c17-11-1-5-13(6-2-11)22-9-10-23(15(22)16(19,20)21)14-7-3-12(18)4-8-14/h1-8,15H,9-10H2.
What are the key properties of 1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine?
1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine has a molecular weight of 410.56 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-chlorophenyl)-2-(trichloromethyl)imidazolidine is sourced from PubChem (CID 3041243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).