1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione

C17H15Cl2N3O3 — CID 19375579

IUPAC1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione
SMILESO=C1CN(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CCCCl
InChIInChI=1S/C17H15Cl2N3O3/c18-8-1-9-21-16(23)11-22(17(21)24)20-10-14-6-7-15(25-14)12-2-4-13(19)5-3-12/h2-7,10H,1,8-9,11H2/b20-10+
InChIKeyOIZQCDGXTBPTBX-KEBDBYFISA-N
MW380.23 g/mol
LogP3.83
Rot. Bonds6

About 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione

1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione (PubChem CID 19375579) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione
PubChem CID19375579
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione
SMILESO=C1CN(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CCCCl
InChIInChI=1S/C17H15Cl2N3O3/c18-8-1-9-21-16(23)11-22(17(21)24)20-10-14-6-7-15(25-14)12-2-4-13(19)5-3-12/h2-7,10H,1,8-9,11H2/b20-10+
InChIKeyOIZQCDGXTBPTBX-KEBDBYFISA-N
XLogP3.83
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione;hydrochloride
CID 66831807
bis((Z)-but-2-enedioic acid);1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
CID 86749076
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 118705976
3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 142563430
[3-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]-2,5-dioxoimidazolidin-1-yl]methyl 2-aminoacetate
CID 138574610
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[3-(dimethylamino)propyl]-1,3-diazinan-2-one
CID 18704707
(1R,2S,6R,7R,8S,10S)-4-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98072553
[3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2,5-dioxoimidazolidin-1-yl]methyl 4-amino-4-oxobutanoate
CID 172941817
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]imidazole-4,5-dione
CID 69352115
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 26918
3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 154206915
3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride
CID 24839038

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione (CID 19375579) is 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione is O=C1CN(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CCCCl.
What is the InChIKey of 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione?
The InChIKey is OIZQCDGXTBPTBX-KEBDBYFISA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c18-8-1-9-21-16(23)11-22(17(21)24)20-10-14-6-7-15(25-14)12-2-4-13(19)5-3-12/h2-7,10H,1,8-9,11H2/b20-10+.
What are the key properties of 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione?
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione has a molecular weight of 380.23 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 19375579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).