1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine

C18H19Cl3N2O — CID 66563697

IUPAC1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine
SMILESClc1ccc(CO[C@H](CN2CCNC2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-6,9,18,22H,7-8,10-12H2/t18-/m1/s1
InChIKeyRSTTVSSBYDBOED-GOSISDBHSA-N
MW385.72 g/mol
LogP4.77
Rot. Bonds6

About 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine

1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine (PubChem CID 66563697) has the molecular formula C18H19Cl3N2O and a molecular weight of 385.72 g/mol. Its IUPAC name is 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine.

Molecular Properties

Compound Name1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine
PubChem CID66563697
Molecular FormulaC18H19Cl3N2O
Molecular Weight385.72 g/mol
Exact Mass384.06
IUPAC Name1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine
SMILESClc1ccc(CO[C@H](CN2CCNC2)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H19Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-6,9,18,22H,7-8,10-12H2/t18-/m1/s1
InChIKeyRSTTVSSBYDBOED-GOSISDBHSA-N
XLogP4.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.72
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine?
The IUPAC name of 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine (CID 66563697) is 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine.
What is the SMILES notation for 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine?
The canonical SMILES for 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine is Clc1ccc(CO[C@H](CN2CCNC2)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine?
The InChIKey is RSTTVSSBYDBOED-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-6,9,18,22H,7-8,10-12H2/t18-/m1/s1.
What are the key properties of 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine?
1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine has a molecular weight of 385.72 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazolidine is sourced from PubChem (CID 66563697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).