4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine

C27H28ClF3N2O — CID 151567570

IUPAC4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CNC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C27H28ClF3N2O/c1-17(2)19-6-11-26(34-3)24(13-19)23-10-7-21(27(29,30)31)12-20(23)14-33-15-25(32-16-33)18-4-8-22(28)9-5-18/h4-13,17,25,32H,14-16H2,1-3H3
InChIKeyQDTADCSICYTMSA-UHFFFAOYSA-N
MW488.98 g/mol
LogP7.26
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine

4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine (PubChem CID 151567570) has the molecular formula C27H28ClF3N2O and a molecular weight of 488.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine
PubChem CID151567570
Molecular FormulaC27H28ClF3N2O
Molecular Weight488.98 g/mol
Exact Mass488.18
IUPAC Name4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine
SMILESCOc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CNC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C27H28ClF3N2O/c1-17(2)19-6-11-26(34-3)24(13-19)23-10-7-21(27(29,30)31)12-20(23)14-33-15-25(32-16-33)18-4-8-22(28)9-5-18/h4-13,17,25,32H,14-16H2,1-3H3
InChIKeyQDTADCSICYTMSA-UHFFFAOYSA-N
XLogP7.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.98
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 58604029
4-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,2,5-thiadiazolidine
CID 91514163
(5S)-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57391801
(4R,5S)-4-[3,5-bis(trifluoromethyl)phenyl]-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-methylimidazolidin-2-one
CID 11541820
[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino] acetate
CID 150996370
(4R,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-ethyl-3-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 56670390
[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl-methylcarbamic acid
CID 68873856
1-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 87791926
[(4R,5S)-4-[3,5-bis(trifluoromethyl)phenyl]-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4,5-dihydroimidazol-2-yl]cyanamide
CID 11679038
benzyl N-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 66716596
[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]cyanamide
CID 86626887
(4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one
CID 71101031

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine?
The IUPAC name of 4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine (CID 151567570) is 4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine?
The canonical SMILES for 4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine is COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CNC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine?
The InChIKey is QDTADCSICYTMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClF3N2O/c1-17(2)19-6-11-26(34-3)24(13-19)23-10-7-21(27(29,30)31)12-20(23)14-33-15-25(32-16-33)18-4-8-22(28)9-5-18/h4-13,17,25,32H,14-16H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine?
4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine has a molecular weight of 488.98 g/mol, XLogP of 7.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]imidazolidine is sourced from PubChem (CID 151567570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).