2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide

C19H19N5O4S — CID 177036723

IUPAC2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide
SMILESO=C1NC(=O)C2(CCC(CNS(=O)c3cnc(-c4cc5ccccc5o4)[nH]3)C2)N1
InChIInChI=1S/C19H19N5O4S/c25-17-19(24-18(26)23-17)6-5-11(8-19)9-21-29(27)15-10-20-16(22-15)14-7-12-3-1-2-4-13(12)28-14/h1-4,7,10-11,21H,5-6,8-9H2,(H,20,22)(H2,23,24,25,26)
InChIKeyUUVPJYARCVUKIO-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.81
Rot. Bonds5

About 2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide

2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide (PubChem CID 177036723) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide
PubChem CID177036723
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide
SMILESO=C1NC(=O)C2(CCC(CNS(=O)c3cnc(-c4cc5ccccc5o4)[nH]3)C2)N1
InChIInChI=1S/C19H19N5O4S/c25-17-19(24-18(26)23-17)6-5-11(8-19)9-21-29(27)15-10-20-16(22-15)14-7-12-3-1-2-4-13(12)28-14/h1-4,7,10-11,21H,5-6,8-9H2,(H,20,22)(H2,23,24,25,26)
InChIKeyUUVPJYARCVUKIO-UHFFFAOYSA-N
XLogP1.81
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide (CID 177036723) is 2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide is O=C1NC(=O)C2(CCC(CNS(=O)c3cnc(-c4cc5ccccc5o4)[nH]3)C2)N1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide?
The InChIKey is UUVPJYARCVUKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c25-17-19(24-18(26)23-17)6-5-11(8-19)9-21-29(27)15-10-20-16(22-15)14-7-12-3-1-2-4-13(12)28-14/h1-4,7,10-11,21H,5-6,8-9H2,(H,20,22)(H2,23,24,25,26).
What are the key properties of 2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide?
2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide has a molecular weight of 413.46 g/mol, XLogP of 1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-8-yl)methyl]-1H-imidazole-5-sulfinamide is sourced from PubChem (CID 177036723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).