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

C21H24N4O3 — CID 110205825

IUPAC(5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3cccc4ccccc34)C2=O)CC1
InChIInChI=1S/C21H24N4O3/c1-23-11-13-24(14-12-23)19(26)10-9-17-20(27)25(21(28)22-17)18-8-4-6-15-5-2-3-7-16(15)18/h2-8,17H,9-14H2,1H3,(H,22,28)/t17-/m0/s1
InChIKeyLPADTBXFWFGBMB-KRWDZBQOSA-N
MW380.45 g/mol
LogP1.82
Rot. Bonds4

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

(5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 110205825) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID110205825
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3cccc4ccccc34)C2=O)CC1
InChIInChI=1S/C21H24N4O3/c1-23-11-13-24(14-12-23)19(26)10-9-17-20(27)25(21(28)22-17)18-8-4-6-15-5-2-3-7-16(15)18/h2-8,17H,9-14H2,1H3,(H,22,28)/t17-/m0/s1
InChIKeyLPADTBXFWFGBMB-KRWDZBQOSA-N
XLogP1.82
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
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)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione (CID 110205825) is (5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione is CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3cccc4ccccc34)C2=O)CC1.
What is the InChIKey of (5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is LPADTBXFWFGBMB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-23-11-13-24(14-12-23)19(26)10-9-17-20(27)25(21(28)22-17)18-8-4-6-15-5-2-3-7-16(15)18/h2-8,17H,9-14H2,1H3,(H,22,28)/t17-/m0/s1.
What are the key properties of (5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione?
(5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 380.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 110205825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).