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

C17H20Cl2N4O3 — CID 124571377

IUPAC(5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CNCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H20Cl2N4O3/c1-10-9-20-6-7-22(10)15(24)5-4-14-16(25)23(17(26)21-14)11-2-3-12(18)13(19)8-11/h2-3,8,10,14,20H,4-7,9H2,1H3,(H,21,26)/t10-,14-/m0/s1
InChIKeyBGFZITFGWZSDSM-HZMBPMFUSA-N
MW399.28 g/mol
LogP2.02
Rot. Bonds4

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

(5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 124571377) has the molecular formula C17H20Cl2N4O3 and a molecular weight of 399.28 g/mol. Its IUPAC name is (5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID124571377
Molecular FormulaC17H20Cl2N4O3
Molecular Weight399.28 g/mol
Exact Mass398.09
IUPAC Name(5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CNCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H20Cl2N4O3/c1-10-9-20-6-7-22(10)15(24)5-4-14-16(25)23(17(26)21-14)11-2-3-12(18)13(19)8-11/h2-3,8,10,14,20H,4-7,9H2,1H3,(H,21,26)/t10-,14-/m0/s1
InChIKeyBGFZITFGWZSDSM-HZMBPMFUSA-N
XLogP2.02
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 52.02
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 (5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 124571377) is (5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@H]1CNCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of (5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is BGFZITFGWZSDSM-HZMBPMFUSA-N. The full InChI is InChI=1S/C17H20Cl2N4O3/c1-10-9-20-6-7-22(10)15(24)5-4-14-16(25)23(17(26)21-14)11-2-3-12(18)13(19)8-11/h2-3,8,10,14,20H,4-7,9H2,1H3,(H,21,26)/t10-,14-/m0/s1.
What are the key properties of (5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 399.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3,4-dichlorophenyl)-5-[3-[(2S)-2-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124571377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).