2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine

C22H27Cl3N2 — CID 11774625

IUPAC2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2C(Cl)(Cl)Cl)c(C)c1
InChIInChI=1S/C22H27Cl3N2/c1-13-9-15(3)19(16(4)10-13)26-7-8-27(21(26)22(23,24)25)20-17(5)11-14(2)12-18(20)6/h9-12,21H,7-8H2,1-6H3
InChIKeyBQPZMDZPDASSPW-UHFFFAOYSA-N
MW425.83 g/mol
LogP6.56
Rot. Bonds2

About 2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine

2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (PubChem CID 11774625) has the molecular formula C22H27Cl3N2 and a molecular weight of 425.83 g/mol. Its IUPAC name is 2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.

Molecular Properties

Compound Name2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
PubChem CID11774625
Molecular FormulaC22H27Cl3N2
Molecular Weight425.83 g/mol
Exact Mass424.12
IUPAC Name2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
SMILESCc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2C(Cl)(Cl)Cl)c(C)c1
InChIInChI=1S/C22H27Cl3N2/c1-13-9-15(3)19(16(4)10-13)26-7-8-27(21(26)22(23,24)25)20-17(5)11-14(2)12-18(20)6/h9-12,21H,7-8H2,1-6H3
InChIKeyBQPZMDZPDASSPW-UHFFFAOYSA-N
XLogP6.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.83
LogP ≤ 56.56
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 2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The IUPAC name of 2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine (CID 11774625) is 2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine.
What is the SMILES notation for 2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The canonical SMILES for 2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2C(Cl)(Cl)Cl)c(C)c1.
What is the InChIKey of 2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
The InChIKey is BQPZMDZPDASSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl3N2/c1-13-9-15(3)19(16(4)10-13)26-7-8-27(21(26)22(23,24)25)20-17(5)11-14(2)12-18(20)6/h9-12,21H,7-8H2,1-6H3.
What are the key properties of 2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine?
2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine has a molecular weight of 425.83 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trichloromethyl)-1,3-bis(2,4,6-trimethylphenyl)imidazolidine is sourced from PubChem (CID 11774625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).