5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione

C20H26Cl2N4O3 — CID 121448880

IUPAC5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)C(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C20H26Cl2N4O3/c1-12(2)16(11-20(3)18(28)23-19(29)24-20)17(27)26-6-4-25(5-7-26)15-9-13(21)8-14(22)10-15/h8-10,12,16H,4-7,11H2,1-3H3,(H2,23,24,28,29)
InChIKeyMNKVQIVVYRSCJP-UHFFFAOYSA-N
MW441.36 g/mol
LogP2.90
Rot. Bonds5

About 5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione

5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121448880) has the molecular formula C20H26Cl2N4O3 and a molecular weight of 441.36 g/mol. Its IUPAC name is 5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione
PubChem CID121448880
Molecular FormulaC20H26Cl2N4O3
Molecular Weight441.36 g/mol
Exact Mass440.14
IUPAC Name5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)C(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C20H26Cl2N4O3/c1-12(2)16(11-20(3)18(28)23-19(29)24-20)17(27)26-6-4-25(5-7-26)15-9-13(21)8-14(22)10-15/h8-10,12,16H,4-7,11H2,1-3H3,(H2,23,24,28,29)
InChIKeyMNKVQIVVYRSCJP-UHFFFAOYSA-N
XLogP2.90
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione (CID 121448880) is 5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione is CC(C)C(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is MNKVQIVVYRSCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N4O3/c1-12(2)16(11-20(3)18(28)23-19(29)24-20)17(27)26-6-4-25(5-7-26)15-9-13(21)8-14(22)10-15/h8-10,12,16H,4-7,11H2,1-3H3,(H2,23,24,28,29).
What are the key properties of 5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione?
5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 441.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(3,5-dichlorophenyl)piperazine-1-carbonyl]-3-methylbutyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121448880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).