(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

C19H18Cl2N2O4 — CID 7987019

IUPAC(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1OC
InChIInChI=1S/C19H18Cl2N2O4/c1-19(11-7-8-15(26-2)16(9-11)27-3)17(24)23(18(25)22-19)10-12-13(20)5-4-6-14(12)21/h4-9H,10H2,1-3H3,(H,22,25)/t19-/m0/s1
InChIKeyFQWVWMXWYFIFDE-IBGZPJMESA-N
MW409.27 g/mol
LogP3.98
Rot. Bonds5

About (5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 7987019) has the molecular formula C19H18Cl2N2O4 and a molecular weight of 409.27 g/mol. Its IUPAC name is (5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID7987019
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.27 g/mol
Exact Mass408.06
IUPAC Name(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1OC
InChIInChI=1S/C19H18Cl2N2O4/c1-19(11-7-8-15(26-2)16(9-11)27-3)17(24)23(18(25)22-19)10-12-13(20)5-4-6-14(12)21/h4-9H,10H2,1-3H3,(H,22,25)/t19-/m0/s1
InChIKeyFQWVWMXWYFIFDE-IBGZPJMESA-N
XLogP3.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 17458173
(5S)-5-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7907582
(5S)-3-[(2-chloro-4-fluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 40811441
3-[(2,6-dichlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 3887433
5-(3,4-dimethoxyphenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 42915163
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24593361
(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 2571204
3-[(2,6-dichlorophenyl)methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazolidine-2,4-dione
CID 4780986
3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 82147846
5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 18079330
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 4882608
5-(3,4-dimethoxyphenyl)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 18166894

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 7987019) is (5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc([C@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1OC.
What is the InChIKey of (5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is FQWVWMXWYFIFDE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18Cl2N2O4/c1-19(11-7-8-15(26-2)16(9-11)27-3)17(24)23(18(25)22-19)10-12-13(20)5-4-6-14(12)21/h4-9H,10H2,1-3H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 409.27 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2,6-dichlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7987019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).