(5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione

C15H18Cl2N2O3 — CID 51933134

IUPAC(5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
SMILESCC(C)OCCN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C15H18Cl2N2O3/c1-9(2)22-7-6-19-13(20)15(3,18-14(19)21)10-4-5-11(16)12(17)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyYMFLCDRIBOTLEQ-HNNXBMFYSA-N
MW345.23 g/mol
LogP3.19
Rot. Bonds5

About (5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione

(5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione (PubChem CID 51933134) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is (5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
PubChem CID51933134
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name(5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
SMILESCC(C)OCCN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C15H18Cl2N2O3/c1-9(2)22-7-6-19-13(20)15(3,18-14(19)21)10-4-5-11(16)12(17)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyYMFLCDRIBOTLEQ-HNNXBMFYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-naphthalen-2-yl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 24674252
3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione
CID 82148435
5-methyl-5-naphthalen-1-yl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 24674242
(5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7596048
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 60524179
5-(4-chlorophenyl)-5-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidine-2,4-dione
CID 47772363
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46638452
3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4826856
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46638763
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8571007
2-[(4S)-4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 25496373

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione (CID 51933134) is (5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione is CC(C)OCCN1C(=O)N[C@@](C)(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of (5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione?
The InChIKey is YMFLCDRIBOTLEQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-9(2)22-7-6-19-13(20)15(3,18-14(19)21)10-4-5-11(16)12(17)8-10/h4-5,8-9H,6-7H2,1-3H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione?
(5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione has a molecular weight of 345.23 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 51933134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).