(4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one

C24H19Cl2F3N2O — CID 157146502

IUPAC(4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one
SMILESCc1cccc([C@H]2N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)[C@@]2(C)C(F)(F)F)c1
InChIInChI=1S/C24H19Cl2F3N2O/c1-15-4-3-5-16(14-15)21-23(2,24(27,28)29)31(20-12-8-18(26)9-13-20)22(32)30(21)19-10-6-17(25)7-11-19/h3-14,21H,1-2H3/t21-,23-/m1/s1
InChIKeyBPDPNSDFWFBROS-FYYLOGMGSA-N
MW479.33 g/mol
LogP7.81
Rot. Bonds3

About (4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one

(4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one (PubChem CID 157146502) has the molecular formula C24H19Cl2F3N2O and a molecular weight of 479.33 g/mol. Its IUPAC name is (4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one
PubChem CID157146502
Molecular FormulaC24H19Cl2F3N2O
Molecular Weight479.33 g/mol
Exact Mass478.08
IUPAC Name(4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one
SMILESCc1cccc([C@H]2N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)[C@@]2(C)C(F)(F)F)c1
InChIInChI=1S/C24H19Cl2F3N2O/c1-15-4-3-5-16(14-15)21-23(2,24(27,28)29)31(20-12-8-18(26)9-13-20)22(32)30(21)19-10-6-17(25)7-11-19/h3-14,21H,1-2H3/t21-,23-/m1/s1
InChIKeyBPDPNSDFWFBROS-FYYLOGMGSA-N
XLogP7.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.33
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(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
1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 145417064
(1S,4S,6S)-1-(4-chlorophenyl)-6-(3-methylphenyl)-2-phenyl-5,7-dioxa-2-azaspiro[3.4]octane-3,8-dione
CID 11640356
(5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one
CID 158758797
3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 25073003
(3R,4R)-4-(3-methylphenyl)-5-phenyl-2-(trifluoromethyl)-5-azaspiro[2.3]hexan-6-one
CID 135036434
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 108670537
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one
CID 71091242
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108713156
1-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584429
(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
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one?
The IUPAC name of (4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one (CID 157146502) is (4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one.
What is the SMILES notation for (4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one?
The canonical SMILES for (4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one is Cc1cccc([C@H]2N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)[C@@]2(C)C(F)(F)F)c1.
What is the InChIKey of (4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one?
The InChIKey is BPDPNSDFWFBROS-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H19Cl2F3N2O/c1-15-4-3-5-16(14-15)21-23(2,24(27,28)29)31(20-12-8-18(26)9-13-20)22(32)30(21)19-10-6-17(25)7-11-19/h3-14,21H,1-2H3/t21-,23-/m1/s1.
What are the key properties of (4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one?
(4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one has a molecular weight of 479.33 g/mol, XLogP of 7.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 157146502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).