(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

C14H8ClN3O5 — CID 6268345

IUPAC(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1
InChIInChI=1S/C14H8ClN3O5/c15-10-3-1-7(18(21)22)5-9(10)12-4-2-8(23-12)6-11-13(19)17-14(20)16-11/h1-6H,(H2,16,17,19,20)/b11-6+
InChIKeyOLIVDXDYWYPSHJ-IZZDOVSWSA-N
MW333.69 g/mol
LogP2.69
Rot. Bonds3

About (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione

(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 6268345) has the molecular formula C14H8ClN3O5 and a molecular weight of 333.69 g/mol. Its IUPAC name is (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
PubChem CID6268345
Molecular FormulaC14H8ClN3O5
Molecular Weight333.69 g/mol
Exact Mass333.02
IUPAC Name(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1
InChIInChI=1S/C14H8ClN3O5/c15-10-3-1-7(18(21)22)5-9(10)12-4-2-8(23-12)6-11-13(19)17-14(20)16-11/h1-6H,(H2,16,17,19,20)/b11-6+
InChIKeyOLIVDXDYWYPSHJ-IZZDOVSWSA-N
XLogP2.69
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.69
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione (CID 6268345) is (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)N1.
What is the InChIKey of (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
The InChIKey is OLIVDXDYWYPSHJ-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H8ClN3O5/c15-10-3-1-7(18(21)22)5-9(10)12-4-2-8(23-12)6-11-13(19)17-14(20)16-11/h1-6H,(H2,16,17,19,20)/b11-6+.
What are the key properties of (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 333.69 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 6268345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).