(5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione

C19H18ClN3O3 — CID 126175557

IUPAC(5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O3/c20-13-4-6-14(7-5-13)23-18(24)16(21-19(23)25)12-15-8-9-17(26-15)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,25)/b16-12+
InChIKeyWNKIAVFXOKQCBM-FOWTUZBSSA-N
MW371.82 g/mol
LogP4.02
Rot. Bonds3

About (5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 126175557) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is (5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione
PubChem CID126175557
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name(5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O3/c20-13-4-6-14(7-5-13)23-18(24)16(21-19(23)25)12-15-8-9-17(26-15)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,25)/b16-12+
InChIKeyWNKIAVFXOKQCBM-FOWTUZBSSA-N
XLogP4.02
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.02
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

1-(4-fluorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1344352
(5E)-1-(3,4-dichlorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6513456
(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126246526
1-(1,3-benzodioxol-5-yl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1271427
(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126250715
(5E)-3-phenyl-5-[(4-piperidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 2177673
(5Z)-1-(4-bromophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2276834
(5E)-3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylidene]imidazolidine-2,4-dione
CID 6433059
(5Z)-1-(4-fluorophenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2289438
(5E)-3-(3-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126222245
(5E)-1-(4-chlorophenyl)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2201904
2-[(4E)-2,5-dioxo-4-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126221060

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione (CID 126175557) is (5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is WNKIAVFXOKQCBM-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-13-4-6-14(7-5-13)23-18(24)16(21-19(23)25)12-15-8-9-17(26-15)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,25)/b16-12+.
What are the key properties of (5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione?
(5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 371.82 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-chlorophenyl)-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126175557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).