(5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C16H18Cl2N4O3 — CID 137468159

IUPAC(5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)N1
InChIInChI=1S/C16H18Cl2N4O3/c17-10-7-11(18)9-12(8-10)21-3-5-22(6-4-21)14(23)2-1-13-15(24)20-16(25)19-13/h7-9,13H,1-6H2,(H2,19,20,24,25)/t13-/m1/s1
InChIKeyYINSFKOGVSNIAY-CYBMUJFWSA-N
MW385.25 g/mol
LogP1.63
Rot. Bonds4

About (5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 137468159) has the molecular formula C16H18Cl2N4O3 and a molecular weight of 385.25 g/mol. Its IUPAC name is (5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID137468159
Molecular FormulaC16H18Cl2N4O3
Molecular Weight385.25 g/mol
Exact Mass384.08
IUPAC Name(5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)N1
InChIInChI=1S/C16H18Cl2N4O3/c17-10-7-11(18)9-12(8-10)21-3-5-22(6-4-21)14(23)2-1-13-15(24)20-16(25)19-13/h7-9,13H,1-6H2,(H2,19,20,24,25)/t13-/m1/s1
InChIKeyYINSFKOGVSNIAY-CYBMUJFWSA-N
XLogP1.63
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 51.63
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 (5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 137468159) is (5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)N1.
What is the InChIKey of (5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is YINSFKOGVSNIAY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18Cl2N4O3/c17-10-7-11(18)9-12(8-10)21-3-5-22(6-4-21)14(23)2-1-13-15(24)20-16(25)19-13/h7-9,13H,1-6H2,(H2,19,20,24,25)/t13-/m1/s1.
What are the key properties of (5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 385.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 137468159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).