2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide

C23H20N4O4S — CID 17434813

IUPAC2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)NC(C)(c2cc3ccccc3o2)C1=O
InChIInChI=1S/C23H20N4O4S/c1-23(18-11-14-7-3-5-9-16(14)31-18)21(29)27(22(30)25-23)13-20(28)26(2)12-19-24-15-8-4-6-10-17(15)32-19/h3-11H,12-13H2,1-2H3,(H,25,30)
InChIKeyLVXGMMJFKFGYMY-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.47
Rot. Bonds5

About 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide

2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide (PubChem CID 17434813) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide
PubChem CID17434813
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)NC(C)(c2cc3ccccc3o2)C1=O
InChIInChI=1S/C23H20N4O4S/c1-23(18-11-14-7-3-5-9-16(14)31-18)21(29)27(22(30)25-23)13-20(28)26(2)12-19-24-15-8-4-6-10-17(15)32-19/h3-11H,12-13H2,1-2H3,(H,25,30)
InChIKeyLVXGMMJFKFGYMY-UHFFFAOYSA-N
XLogP3.47
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 55445044
(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 40854425
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 55442216
2-[(4S)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41119118
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 41119736
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 17397156
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 51684131
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 55442296
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 41208952
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9393461
2-[(4S)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31383653
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(3-oxopiperazin-1-yl)acetamide
CID 8548794

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide (CID 17434813) is 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide is CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)NC(C)(c2cc3ccccc3o2)C1=O.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide?
The InChIKey is LVXGMMJFKFGYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-23(18-11-14-7-3-5-9-16(14)31-18)21(29)27(22(30)25-23)13-20(28)26(2)12-19-24-15-8-4-6-10-17(15)32-19/h3-11H,12-13H2,1-2H3,(H,25,30).
What are the key properties of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide?
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide has a molecular weight of 448.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 17434813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).