N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C25H25F2N3O5 — CID 30000395

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccc(OC(F)F)cc2)C1=O)c1cc2ccccc2o1
InChIInChI=1S/C25H25F2N3O5/c1-15(20-13-17-5-3-4-6-19(17)35-20)28-21(31)14-30-22(32)25(2,29-24(30)33)12-11-16-7-9-18(10-8-16)34-23(26)27/h3-10,13,15,23H,11-12,14H2,1-2H3,(H,28,31)(H,29,33)/t15-,25+/m1/s1
InChIKeyXDXZIMQIKDOXEA-BZQUYTCOSA-N
MW485.49 g/mol
LogP4.15
Rot. Bonds9

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 30000395) has the molecular formula C25H25F2N3O5 and a molecular weight of 485.49 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID30000395
Molecular FormulaC25H25F2N3O5
Molecular Weight485.49 g/mol
Exact Mass485.18
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccc(OC(F)F)cc2)C1=O)c1cc2ccccc2o1
InChIInChI=1S/C25H25F2N3O5/c1-15(20-13-17-5-3-4-6-19(17)35-20)28-21(31)14-30-22(32)25(2,29-24(30)33)12-11-16-7-9-18(10-8-16)34-23(26)27/h3-10,13,15,23H,11-12,14H2,1-2H3,(H,28,31)(H,29,33)/t15-,25+/m1/s1
InChIKeyXDXZIMQIKDOXEA-BZQUYTCOSA-N
XLogP4.15
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.15
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-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 8506856
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8576435
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27942378
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-pentylimidazolidine-2,4-dione
CID 112828042
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7639797
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 55305649
N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8567651
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
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41167289
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252
N-(3-methoxyphenyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507084
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 30000395) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccc(OC(F)F)cc2)C1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is XDXZIMQIKDOXEA-BZQUYTCOSA-N. The full InChI is InChI=1S/C25H25F2N3O5/c1-15(20-13-17-5-3-4-6-19(17)35-20)28-21(31)14-30-22(32)25(2,29-24(30)33)12-11-16-7-9-18(10-8-16)34-23(26)27/h3-10,13,15,23H,11-12,14H2,1-2H3,(H,28,31)(H,29,33)/t15-,25+/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 485.49 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 30000395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).