5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione

C24H24ClN5O4 — CID 121448996

IUPAC5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione
SMILESO=C1Cc2cc(C3(CCC(=O)N4CCN(c5cccc(Cl)c5)CC4)NC(=O)NC3=O)ccc2N1
InChIInChI=1S/C24H24ClN5O4/c25-17-2-1-3-18(14-17)29-8-10-30(11-9-29)21(32)6-7-24(22(33)27-23(34)28-24)16-4-5-19-15(12-16)13-20(31)26-19/h1-5,12,14H,6-11,13H2,(H,26,31)(H2,27,28,33,34)
InChIKeyZQRTYTAYFLNYBY-UHFFFAOYSA-N
MW481.94 g/mol
LogP2.00
Rot. Bonds5

About 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione

5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione (PubChem CID 121448996) has the molecular formula C24H24ClN5O4 and a molecular weight of 481.94 g/mol. Its IUPAC name is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione
PubChem CID121448996
Molecular FormulaC24H24ClN5O4
Molecular Weight481.94 g/mol
Exact Mass481.15
IUPAC Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione
SMILESO=C1Cc2cc(C3(CCC(=O)N4CCN(c5cccc(Cl)c5)CC4)NC(=O)NC3=O)ccc2N1
InChIInChI=1S/C24H24ClN5O4/c25-17-2-1-3-18(14-17)29-8-10-30(11-9-29)21(32)6-7-24(22(33)27-23(34)28-24)16-4-5-19-15(12-16)13-20(31)26-19/h1-5,12,14H,6-11,13H2,(H,26,31)(H2,27,28,33,34)
InChIKeyZQRTYTAYFLNYBY-UHFFFAOYSA-N
XLogP2.00
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione (CID 121448996) is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione is O=C1Cc2cc(C3(CCC(=O)N4CCN(c5cccc(Cl)c5)CC4)NC(=O)NC3=O)ccc2N1.
What is the InChIKey of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione?
The InChIKey is ZQRTYTAYFLNYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O4/c25-17-2-1-3-18(14-17)29-8-10-30(11-9-29)21(32)6-7-24(22(33)27-23(34)28-24)16-4-5-19-15(12-16)13-20(31)26-19/h1-5,12,14H,6-11,13H2,(H,26,31)(H2,27,28,33,34).
What are the key properties of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione?
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione has a molecular weight of 481.94 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(2-oxo-1,3-dihydroindol-5-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 121448996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).