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

C26H22ClN3O5 — CID 42918405

IUPAC2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide
SMILESCC1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C26H22ClN3O5/c1-26(18-9-12-20-21(13-18)35-15-34-20)24(32)30(25(33)29-26)14-22(31)28-23(16-5-3-2-4-6-16)17-7-10-19(27)11-8-17/h2-13,23H,14-15H2,1H3,(H,28,31)(H,29,33)
InChIKeyLUXCMHVGVSOTBV-UHFFFAOYSA-N
MW491.93 g/mol
LogP3.74
Rot. Bonds6

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

2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide (PubChem CID 42918405) has the molecular formula C26H22ClN3O5 and a molecular weight of 491.93 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide
PubChem CID42918405
Molecular FormulaC26H22ClN3O5
Molecular Weight491.93 g/mol
Exact Mass491.12
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide
SMILESCC1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C26H22ClN3O5/c1-26(18-9-12-20-21(13-18)35-15-34-20)24(32)30(25(33)29-26)14-22(31)28-23(16-5-3-2-4-6-16)17-7-10-19(27)11-8-17/h2-13,23H,14-15H2,1H3,(H,28,31)(H,29,33)
InChIKeyLUXCMHVGVSOTBV-UHFFFAOYSA-N
XLogP3.74
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.93
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 92786972
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 7692061
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7691929
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,2-diphenylethyl)acetamide
CID 46814703
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(4S)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41187820
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9484095
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8006023
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8006021
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 40931059
5-(1,3-benzodioxol-5-yl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 17400223
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 41251630
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide
CID 7692099

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide (CID 42918405) is 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide is CC1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide?
The InChIKey is LUXCMHVGVSOTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O5/c1-26(18-9-12-20-21(13-18)35-15-34-20)24(32)30(25(33)29-26)14-22(31)28-23(16-5-3-2-4-6-16)17-7-10-19(27)11-8-17/h2-13,23H,14-15H2,1H3,(H,28,31)(H,29,33).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide?
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-chlorophenyl)-phenylmethyl]acetamide has a molecular weight of 491.93 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-[(4-chlorophenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 42918405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).