1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione

C15H17Cl2N3O3 — CID 9241221

IUPAC1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(CN(C)Cc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C15H17Cl2N3O3/c1-3-6-19-13(21)14(22)20(15(19)23)9-18(2)8-10-4-5-11(16)12(17)7-10/h4-5,7H,3,6,8-9H2,1-2H3
InChIKeyYGKULLMQECFWSY-UHFFFAOYSA-N
MW358.23 g/mol
LogP2.58
Rot. Bonds6

About 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione

1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione (PubChem CID 9241221) has the molecular formula C15H17Cl2N3O3 and a molecular weight of 358.23 g/mol. Its IUPAC name is 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione
PubChem CID9241221
Molecular FormulaC15H17Cl2N3O3
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione
SMILESCCCN1C(=O)C(=O)N(CN(C)Cc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C15H17Cl2N3O3/c1-3-6-19-13(21)14(22)20(15(19)23)9-18(2)8-10-4-5-11(16)12(17)7-10/h4-5,7H,3,6,8-9H2,1-2H3
InChIKeyYGKULLMQECFWSY-UHFFFAOYSA-N
XLogP2.58
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 52.58
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-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione (CID 9241221) is 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione is CCCN1C(=O)C(=O)N(CN(C)Cc2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione?
The InChIKey is YGKULLMQECFWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O3/c1-3-6-19-13(21)14(22)20(15(19)23)9-18(2)8-10-4-5-11(16)12(17)7-10/h4-5,7H,3,6,8-9H2,1-2H3.
What are the key properties of 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione?
1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione has a molecular weight of 358.23 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-3-propylimidazolidine-2,4,5-trione is sourced from PubChem (CID 9241221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).