1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine

C20H23Cl3N2 — CID 22600177

IUPAC1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine
SMILESCc1cc(C)cc(N2CCN(c3cc(C)cc(C)c3)C2C(Cl)(Cl)Cl)c1
InChIInChI=1S/C20H23Cl3N2/c1-13-7-14(2)10-17(9-13)24-5-6-25(19(24)20(21,22)23)18-11-15(3)8-16(4)12-18/h7-12,19H,5-6H2,1-4H3
InChIKeyUKGKAYAYAZKNRN-UHFFFAOYSA-N
MW397.78 g/mol
LogP5.94
Rot. Bonds2

About 1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine

1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine (PubChem CID 22600177) has the molecular formula C20H23Cl3N2 and a molecular weight of 397.78 g/mol. Its IUPAC name is 1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine.

Molecular Properties

Compound Name1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine
PubChem CID22600177
Molecular FormulaC20H23Cl3N2
Molecular Weight397.78 g/mol
Exact Mass396.09
IUPAC Name1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine
SMILESCc1cc(C)cc(N2CCN(c3cc(C)cc(C)c3)C2C(Cl)(Cl)Cl)c1
InChIInChI=1S/C20H23Cl3N2/c1-13-7-14(2)10-17(9-13)24-5-6-25(19(24)20(21,22)23)18-11-15(3)8-16(4)12-18/h7-12,19H,5-6H2,1-4H3
InChIKeyUKGKAYAYAZKNRN-UHFFFAOYSA-N
XLogP5.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.78
LogP ≤ 55.94
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(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine?
The IUPAC name of 1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine (CID 22600177) is 1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine.
What is the SMILES notation for 1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine?
The canonical SMILES for 1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine is Cc1cc(C)cc(N2CCN(c3cc(C)cc(C)c3)C2C(Cl)(Cl)Cl)c1.
What is the InChIKey of 1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine?
The InChIKey is UKGKAYAYAZKNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl3N2/c1-13-7-14(2)10-17(9-13)24-5-6-25(19(24)20(21,22)23)18-11-15(3)8-16(4)12-18/h7-12,19H,5-6H2,1-4H3.
What are the key properties of 1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine?
1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine has a molecular weight of 397.78 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,5-dimethylphenyl)-2-(trichloromethyl)imidazolidine is sourced from PubChem (CID 22600177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).