1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one

C26H24ClF3N2O3 — CID 145417064

IUPAC1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
SMILESCOCC1(C)C(c2cccc(OC(F)(F)F)c2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C26H24ClF3N2O3/c1-17-7-11-21(12-8-17)32-24(33)31(20-13-9-19(27)10-14-20)23(25(32,2)16-34-3)18-5-4-6-22(15-18)35-26(28,29)30/h4-15,23H,16H2,1-3H3
InChIKeyMLTYBRZVARBPEW-UHFFFAOYSA-N
MW504.94 g/mol
LogP7.14
Rot. Bonds6

About 1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one

1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one (PubChem CID 145417064) has the molecular formula C26H24ClF3N2O3 and a molecular weight of 504.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
PubChem CID145417064
Molecular FormulaC26H24ClF3N2O3
Molecular Weight504.94 g/mol
Exact Mass504.14
IUPAC Name1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
SMILESCOCC1(C)C(c2cccc(OC(F)(F)F)c2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C26H24ClF3N2O3/c1-17-7-11-21(12-8-17)32-24(33)31(20-13-9-19(27)10-14-20)23(25(32,2)16-34-3)18-5-4-6-22(15-18)35-26(28,29)30/h4-15,23H,16H2,1-3H3
InChIKeyMLTYBRZVARBPEW-UHFFFAOYSA-N
XLogP7.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.94
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one
CID 157146502
(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 70821754
(2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 59153204
3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one
CID 145417086
1-(4-methylphenyl)-3-(4-methylphenyl)imino-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 90760164
(5R)-3-[(1R)-1-(4-chlorophenyl)ethyl]imino-5-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 91513411
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108713156
1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane
CID 145417227
(4S,5R)-1,3-bis(4-chlorophenyl)-4-hydroxy-5-(methoxymethyl)-5-methyl-4-(3-methylphenyl)imidazolidin-2-one;(4R,5S)-1,3-bis(4-chlorophenyl)-4-hydroxy-5-(methoxymethyl)-5-methyl-4-(3-methylphenyl)imidazolidin-2-one;(4S,5S)-1,3-bis(4-chlorophenyl)-4-hydroxy-5-(methoxymethyl)-5-methyl-4-(3-methylphenyl)imidazolidin-2-one
CID 160774429
(8R)-5-(4-chlorophenyl)-7-(4-isocyanophenyl)-8-(3-methylphenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one;(8S)-5-(4-chlorophenyl)-7-(4-isocyanophenyl)-8-(3-methylphenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one
CID 161492964
3-(4-chlorophenyl)-1-(2-methylpropyl)-4-[3-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110599477
(5R)-5-(methoxymethyl)-5-methyl-3-[2-[3-(trifluoromethoxy)phenyl]ethyl]imidazolidine-2,4-dione
CID 97340103

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one (CID 145417064) is 1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one is COCC1(C)C(c2cccc(OC(F)(F)F)c2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The InChIKey is MLTYBRZVARBPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N2O3/c1-17-7-11-21(12-8-17)32-24(33)31(20-13-9-19(27)10-14-20)23(25(32,2)16-34-3)18-5-4-6-22(15-18)35-26(28,29)30/h4-15,23H,16H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one?
1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one has a molecular weight of 504.94 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one is sourced from PubChem (CID 145417064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).