2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide

C25H27N3O4 — CID 55442216

IUPAC2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CN1C(=O)NC(C)(c2cc3ccccc3o2)C1=O
InChIInChI=1S/C25H27N3O4/c1-4-13-27(15-18-11-9-17(2)10-12-18)22(29)16-28-23(30)25(3,26-24(28)31)21-14-19-7-5-6-8-20(19)32-21/h5-12,14H,4,13,15-16H2,1-3H3,(H,26,31)
InChIKeyFAFXJBAWYAJZFV-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.95
Rot. Bonds7

About 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide

2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide (PubChem CID 55442216) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
PubChem CID55442216
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CN1C(=O)NC(C)(c2cc3ccccc3o2)C1=O
InChIInChI=1S/C25H27N3O4/c1-4-13-27(15-18-11-9-17(2)10-12-18)22(29)16-28-23(30)25(3,26-24(28)31)21-14-19-7-5-6-8-20(19)32-21/h5-12,14H,4,13,15-16H2,1-3H3,(H,26,31)
InChIKeyFAFXJBAWYAJZFV-UHFFFAOYSA-N
XLogP3.95
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 46606420
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 55445044
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 17464281
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
CID 56521720
(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 40854425
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 9401594
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 17397156
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide
CID 17434813
N-benzyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 46533735
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 41167169
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
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46421740

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide (CID 55442216) is 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide is CCCN(Cc1ccc(C)cc1)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-[(4-methylphenyl)methyl]-N-propylacetamide?
The InChIKey is FAFXJBAWYAJZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-4-13-27(15-18-11-9-17(2)10-12-18)22(29)16-28-23(30)25(3,26-24(28)31)21-14-19-7-5-6-8-20(19)32-21/h5-12,14H,4,13,15-16H2,1-3H3,(H,26,31).
What are the key properties of 2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide?
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide has a molecular weight of 433.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-[(4-methylphenyl)methyl]-N-propylacetamide is sourced from PubChem (CID 55442216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).