3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione

C18H22Cl2N2O2 — CID 154063796

IUPAC3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccc(Cl)cc2)C(=O)N1CCCCCCCCCl
InChIInChI=1S/C18H22Cl2N2O2/c19-11-5-3-1-2-4-6-12-22-17(23)16(21-18(22)24)13-14-7-9-15(20)10-8-14/h7-10,13H,1-6,11-12H2,(H,21,24)
InChIKeyMXURFPGLJROYJZ-UHFFFAOYSA-N
MW369.29 g/mol
LogP4.81
Rot. Bonds9

About 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione

3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 154063796) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID154063796
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccc(Cl)cc2)C(=O)N1CCCCCCCCCl
InChIInChI=1S/C18H22Cl2N2O2/c19-11-5-3-1-2-4-6-12-22-17(23)16(21-18(22)24)13-14-7-9-15(20)10-8-14/h7-10,13H,1-6,11-12H2,(H,21,24)
InChIKeyMXURFPGLJROYJZ-UHFFFAOYSA-N
XLogP4.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminopropyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione
CID 154063805
(5E)-3-(3-chloropropyl)-5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 118050435
N-(4-chlorophenyl)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]propanamide
CID 6229399
(5E)-3-(3-chloropropyl)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 118050374
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
N-hydroxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
CID 171479616
(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6383605
2-[4-[[4-(4-chlorophenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 77425794
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126073621
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 16632629
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126554488

Frequently Asked Questions

What is the IUPAC name of 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione (CID 154063796) is 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=Cc2ccc(Cl)cc2)C(=O)N1CCCCCCCCCl.
What is the InChIKey of 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is MXURFPGLJROYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2/c19-11-5-3-1-2-4-6-12-22-17(23)16(21-18(22)24)13-14-7-9-15(20)10-8-14/h7-10,13H,1-6,11-12H2,(H,21,24).
What are the key properties of 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione?
3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 369.29 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chlorooctyl)-5-[(4-chlorophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 154063796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).