1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

C15H17ClN2O4 — CID 8851903

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCOc1ccc(Cl)cc1CN1C(=O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C15H17ClN2O4/c1-9(2)7-17-13(19)14(20)18(15(17)21)8-10-6-11(16)4-5-12(10)22-3/h4-6,9H,7-8H2,1-3H3
InChIKeyLVXNNGHHCJRAMP-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.30
Rot. Bonds5

About 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione

1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (PubChem CID 8851903) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
PubChem CID8851903
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
SMILESCOc1ccc(Cl)cc1CN1C(=O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C15H17ClN2O4/c1-9(2)7-17-13(19)14(20)18(15(17)21)8-10-6-11(16)4-5-12(10)22-3/h4-6,9H,7-8H2,1-3H3
InChIKeyLVXNNGHHCJRAMP-UHFFFAOYSA-N
XLogP2.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione (CID 8851903) is 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is COc1ccc(Cl)cc1CN1C(=O)C(=O)N(CC(C)C)C1=O.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
The InChIKey is LVXNNGHHCJRAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-9(2)7-17-13(19)14(20)18(15(17)21)8-10-6-11(16)4-5-12(10)22-3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione?
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione has a molecular weight of 324.76 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 8851903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).