3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione

C18H14Cl4N4O2 — CID 57265894

IUPAC3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione
SMILESCN1C(=O)C(=NC(Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)N(c2ccccc2)C1=O
InChIInChI=1S/C18H14Cl4N4O2/c1-25-15(27)14(26(17(25)28)13-5-3-2-4-6-13)24-16(18(20,21)22)23-12-9-7-11(19)8-10-12/h2-10,16,23H,1H3
InChIKeyMONBXHNXTHLWHQ-UHFFFAOYSA-N
MW460.15 g/mol
LogP4.95
Rot. Bonds4

About 3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione

3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione (PubChem CID 57265894) has the molecular formula C18H14Cl4N4O2 and a molecular weight of 460.15 g/mol. Its IUPAC name is 3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione
PubChem CID57265894
Molecular FormulaC18H14Cl4N4O2
Molecular Weight460.15 g/mol
Exact Mass457.99
IUPAC Name3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione
SMILESCN1C(=O)C(=NC(Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)N(c2ccccc2)C1=O
InChIInChI=1S/C18H14Cl4N4O2/c1-25-15(27)14(26(17(25)28)13-5-3-2-4-6-13)24-16(18(20,21)22)23-12-9-7-11(19)8-10-12/h2-10,16,23H,1H3
InChIKeyMONBXHNXTHLWHQ-UHFFFAOYSA-N
XLogP4.95
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.15
LogP ≤ 54.95
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione?
The IUPAC name of 3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione (CID 57265894) is 3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione?
The canonical SMILES for 3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione is CN1C(=O)C(=NC(Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)N(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione?
The InChIKey is MONBXHNXTHLWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl4N4O2/c1-25-15(27)14(26(17(25)28)13-5-3-2-4-6-13)24-16(18(20,21)22)23-12-9-7-11(19)8-10-12/h2-10,16,23H,1H3.
What are the key properties of 3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione?
3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione has a molecular weight of 460.15 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-5-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]iminoimidazolidine-2,4-dione is sourced from PubChem (CID 57265894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).