(5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione

C23H26Cl2N4O3 — CID 95342863

IUPAC(5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(C[C@H](O)CN2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C23H26Cl2N4O3/c1-23(19-8-7-16(24)13-20(19)25)21(31)29(22(32)26-23)15-18(30)14-27-9-11-28(12-10-27)17-5-3-2-4-6-17/h2-8,13,18,30H,9-12,14-15H2,1H3,(H,26,32)/t18-,23+/m1/s1
InChIKeyLQSYETGWEYBFAU-JPYJTQIMSA-N
MW477.39 g/mol
LogP2.94
Rot. Bonds6

About (5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione

(5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione (PubChem CID 95342863) has the molecular formula C23H26Cl2N4O3 and a molecular weight of 477.39 g/mol. Its IUPAC name is (5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
PubChem CID95342863
Molecular FormulaC23H26Cl2N4O3
Molecular Weight477.39 g/mol
Exact Mass476.14
IUPAC Name(5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(C[C@H](O)CN2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C23H26Cl2N4O3/c1-23(19-8-7-16(24)13-20(19)25)21(31)29(22(32)26-23)15-18(30)14-27-9-11-28(12-10-27)17-5-3-2-4-6-17/h2-8,13,18,30H,9-12,14-15H2,1H3,(H,26,32)/t18-,23+/m1/s1
InChIKeyLQSYETGWEYBFAU-JPYJTQIMSA-N
XLogP2.94
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
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 (5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione (CID 95342863) is (5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione is C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(C[C@H](O)CN2CCN(c3ccccc3)CC2)C1=O.
What is the InChIKey of (5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is LQSYETGWEYBFAU-JPYJTQIMSA-N. The full InChI is InChI=1S/C23H26Cl2N4O3/c1-23(19-8-7-16(24)13-20(19)25)21(31)29(22(32)26-23)15-18(30)14-27-9-11-28(12-10-27)17-5-3-2-4-6-17/h2-8,13,18,30H,9-12,14-15H2,1H3,(H,26,32)/t18-,23+/m1/s1.
What are the key properties of (5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 477.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 95342863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).