(5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione

C10H5Cl2N3O4 — CID 11833559

IUPAC(5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc(Cl)c(Cl)cc2[N+](=O)[O-])N1
InChIInChI=1S/C10H5Cl2N3O4/c11-5-1-4(8(15(18)19)3-6(5)12)2-7-9(16)14-10(17)13-7/h1-3H,(H2,13,14,16,17)/b7-2+
InChIKeyDEGZJFCAISZPTO-FARCUNLSSA-N
MW302.07 g/mol
LogP2.08
Rot. Bonds2

About (5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 11833559) has the molecular formula C10H5Cl2N3O4 and a molecular weight of 302.07 g/mol. Its IUPAC name is (5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID11833559
Molecular FormulaC10H5Cl2N3O4
Molecular Weight302.07 g/mol
Exact Mass300.97
IUPAC Name(5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc(Cl)c(Cl)cc2[N+](=O)[O-])N1
InChIInChI=1S/C10H5Cl2N3O4/c11-5-1-4(8(15(18)19)3-6(5)12)2-7-9(16)14-10(17)13-7/h1-3H,(H2,13,14,16,17)/b7-2+
InChIKeyDEGZJFCAISZPTO-FARCUNLSSA-N
XLogP2.08
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione (CID 11833559) is (5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cc(Cl)c(Cl)cc2[N+](=O)[O-])N1.
What is the InChIKey of (5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is DEGZJFCAISZPTO-FARCUNLSSA-N. The full InChI is InChI=1S/C10H5Cl2N3O4/c11-5-1-4(8(15(18)19)3-6(5)12)2-7-9(16)14-10(17)13-7/h1-3H,(H2,13,14,16,17)/b7-2+.
What are the key properties of (5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 302.07 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4,5-dichloro-2-nitrophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 11833559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).