2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C19H21N5O5 — CID 43022599

IUPAC2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C19H21N5O5/c1-11(2)24-15(6-7-20-24)21-16(25)9-23-17(26)19(3,22-18(23)27)12-4-5-13-14(8-12)29-10-28-13/h4-8,11H,9-10H2,1-3H3,(H,21,25)(H,22,27)
InChIKeyFFSWTVQUWMXARJ-UHFFFAOYSA-N
MW399.41 g/mol
LogP1.60
Rot. Bonds5

About 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 43022599) has the molecular formula C19H21N5O5 and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID43022599
Molecular FormulaC19H21N5O5
Molecular Weight399.41 g/mol
Exact Mass399.15
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C19H21N5O5/c1-11(2)24-15(6-7-20-24)21-16(25)9-23-17(26)19(3,22-18(23)27)12-4-5-13-14(8-12)29-10-28-13/h4-8,11H,9-10H2,1-3H3,(H,21,25)(H,22,27)
InChIKeyFFSWTVQUWMXARJ-UHFFFAOYSA-N
XLogP1.60
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40957183
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 40931059
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 17441791
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7692093
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962
4-[[2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 7692089
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[(2R)-butan-2-yl]carbamoyl]acetamide
CID 7692108
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 7692101
methyl 4-[[2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 92786608
ethyl 4-[[2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 92786666
ethyl 4-[[2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 92786665
2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 7483911

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 43022599) is 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is FFSWTVQUWMXARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5/c1-11(2)24-15(6-7-20-24)21-16(25)9-23-17(26)19(3,22-18(23)27)12-4-5-13-14(8-12)29-10-28-13/h4-8,11H,9-10H2,1-3H3,(H,21,25)(H,22,27).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 399.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 43022599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).