(5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione

C18H23ClN2O4 — CID 126248568

IUPAC(5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O
InChIInChI=1S/C18H23ClN2O4/c1-5-7-21-17(22)14(20-18(21)23)9-12-8-13(19)16(15(10-12)24-4)25-11(3)6-2/h8-11H,5-7H2,1-4H3,(H,20,23)/b14-9+/t11-/m0/s1
InChIKeyROZUFNZOXYJBIO-LUHPIMIVSA-N
MW366.85 g/mol
LogP3.83
Rot. Bonds7

About (5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione

(5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 126248568) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is (5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID126248568
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name(5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O
InChIInChI=1S/C18H23ClN2O4/c1-5-7-21-17(22)14(20-18(21)23)9-12-8-13(19)16(15(10-12)24-4)25-11(3)6-2/h8-11H,5-7H2,1-4H3,(H,20,23)/b14-9+/t11-/m0/s1
InChIKeyROZUFNZOXYJBIO-LUHPIMIVSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-benzyl-5-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126229691
(5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chlorophenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126235832
2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-chlorophenyl)acetamide
CID 41301315
2-[(4Z)-4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 41301263
(5E)-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126242522
5-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5097688
5-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3412447
(5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-chlorophenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126226670
(5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-iodo-5-methoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126244518
(5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 124550005
5-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3719783
(5E)-5-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126239201

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione (CID 126248568) is (5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N/C(=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O.
What is the InChIKey of (5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The InChIKey is ROZUFNZOXYJBIO-LUHPIMIVSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c1-5-7-21-17(22)14(20-18(21)23)9-12-8-13(19)16(15(10-12)24-4)25-11(3)6-2/h8-11H,5-7H2,1-4H3,(H,20,23)/b14-9+/t11-/m0/s1.
What are the key properties of (5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione?
(5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 366.85 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 126248568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).