1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one

C24H22Cl2N2O2 — CID 161144406

IUPAC1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc(C2(O)N(c3cccc(Cl)c3)C(=O)N(c3cccc(Cl)c3)C2(C)C)c1
InChIInChI=1S/C24H22Cl2N2O2/c1-16-7-4-8-17(13-16)24(30)23(2,3)27(20-11-5-9-18(25)14-20)22(29)28(24)21-12-6-10-19(26)15-21/h4-15,30H,1-3H3
InChIKeyNYRRCOJWBSYSDB-UHFFFAOYSA-N
MW441.36 g/mol
LogP6.37
Rot. Bonds3

About 1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one

1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one (PubChem CID 161144406) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one
PubChem CID161144406
Molecular FormulaC24H22Cl2N2O2
Molecular Weight441.36 g/mol
Exact Mass440.11
IUPAC Name1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc(C2(O)N(c3cccc(Cl)c3)C(=O)N(c3cccc(Cl)c3)C2(C)C)c1
InChIInChI=1S/C24H22Cl2N2O2/c1-16-7-4-8-17(13-16)24(30)23(2,3)27(20-11-5-9-18(25)14-20)22(29)28(24)21-12-6-10-19(26)15-21/h4-15,30H,1-3H3
InChIKeyNYRRCOJWBSYSDB-UHFFFAOYSA-N
XLogP6.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]nonan-2-one
CID 157224478
(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
4-hydroxy-4-(3-isocyanophenyl)-1-(4-methoxyphenyl)-5,5-dimethyl-3-(4-methylphenyl)imidazolidin-2-one
CID 158972317
(6S)-1-(3-chlorophenyl)-6-hydroxy-4,4,6-trimethyl-3-propan-2-yl-1,3-diazinan-2-one
CID 911192
4-[5-ethyl-4-hydroxy-3-(4-isocyanophenyl)-5-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]benzonitrile
CID 158539471
1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one
CID 158125171
(5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one
CID 158758797
1-chloro-3-methylbenzene;ethane
CID 123907748
tris(1-chloro-3-methylbenzene);ethane
CID 143147725
1-(3-chlorophenyl)-2,2,3,3-tetramethylindole
CID 166015344
4-[8-hydroxy-7-(4-isocyanophenyl)-8-(3-methylphenyl)-6-oxo-5,7-diazaspiro[3.4]octan-5-yl]benzonitrile
CID 158439238
4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one (CID 161144406) is 1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one is Cc1cccc(C2(O)N(c3cccc(Cl)c3)C(=O)N(c3cccc(Cl)c3)C2(C)C)c1.
What is the InChIKey of 1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one?
The InChIKey is NYRRCOJWBSYSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2/c1-16-7-4-8-17(13-16)24(30)23(2,3)27(20-11-5-9-18(25)14-20)22(29)28(24)21-12-6-10-19(26)15-21/h4-15,30H,1-3H3.
What are the key properties of 1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one?
1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one has a molecular weight of 441.36 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 161144406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).