5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C18H21Cl2N3O3 — CID 139530003

IUPAC5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1c(Cl)cc(Cl)cc1C1CCN(C(=O)CCC2NC(=O)NC2=O)CC1
InChIInChI=1S/C18H21Cl2N3O3/c1-10-13(8-12(19)9-14(10)20)11-4-6-23(7-5-11)16(24)3-2-15-17(25)22-18(26)21-15/h8-9,11,15H,2-7H2,1H3,(H2,21,22,25,26)
InChIKeyILPKQVLOAJOEHM-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.00
Rot. Bonds4

About 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 139530003) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID139530003
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC Name5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1c(Cl)cc(Cl)cc1C1CCN(C(=O)CCC2NC(=O)NC2=O)CC1
InChIInChI=1S/C18H21Cl2N3O3/c1-10-13(8-12(19)9-14(10)20)11-4-6-23(7-5-11)16(24)3-2-15-17(25)22-18(26)21-15/h8-9,11,15H,2-7H2,1H3,(H2,21,22,25,26)
InChIKeyILPKQVLOAJOEHM-UHFFFAOYSA-N
XLogP3.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 139530003) is 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1c(Cl)cc(Cl)cc1C1CCN(C(=O)CCC2NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is ILPKQVLOAJOEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3/c1-10-13(8-12(19)9-14(10)20)11-4-6-23(7-5-11)16(24)3-2-15-17(25)22-18(26)21-15/h8-9,11,15H,2-7H2,1H3,(H2,21,22,25,26).
What are the key properties of 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 398.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 139530003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).