1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine

C24H21Cl2F3N2 — CID 3451086

IUPAC1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine
SMILESFC(F)(F)c1cccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21Cl2F3N2/c25-21-8-4-17(5-9-21)15-30-12-13-31(16-18-6-10-22(26)11-7-18)23(30)19-2-1-3-20(14-19)24(27,28)29/h1-11,14,23H,12-13,15-16H2
InChIKeyWORDOPBYXUWEKB-UHFFFAOYSA-N
MW465.35 g/mol
LogP7.03
Rot. Bonds5

About 1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine

1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine (PubChem CID 3451086) has the molecular formula C24H21Cl2F3N2 and a molecular weight of 465.35 g/mol. Its IUPAC name is 1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine.

Molecular Properties

Compound Name1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine
PubChem CID3451086
Molecular FormulaC24H21Cl2F3N2
Molecular Weight465.35 g/mol
Exact Mass464.10
IUPAC Name1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine
SMILESFC(F)(F)c1cccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H21Cl2F3N2/c25-21-8-4-17(5-9-21)15-30-12-13-31(16-18-6-10-22(26)11-7-18)23(30)19-2-1-3-20(14-19)24(27,28)29/h1-11,14,23H,12-13,15-16H2
InChIKeyWORDOPBYXUWEKB-UHFFFAOYSA-N
XLogP7.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.35
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine?
The IUPAC name of 1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine (CID 3451086) is 1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine.
What is the SMILES notation for 1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine?
The canonical SMILES for 1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine is FC(F)(F)c1cccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine?
The InChIKey is WORDOPBYXUWEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F3N2/c25-21-8-4-17(5-9-21)15-30-12-13-31(16-18-6-10-22(26)11-7-18)23(30)19-2-1-3-20(14-19)24(27,28)29/h1-11,14,23H,12-13,15-16H2.
What are the key properties of 1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine?
1,3-bis[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine has a molecular weight of 465.35 g/mol, XLogP of 7.03, 5 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)methyl]-2-[3-(trifluoromethyl)phenyl]imidazolidine is sourced from PubChem (CID 3451086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).