2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide

C24H27N5O4 — CID 91821386

IUPAC2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc(CN2C(=O)NC(CC(=O)NCc3nc4ccccc4n3C(C)C)C2=O)cc1
InChIInChI=1S/C24H27N5O4/c1-15(2)29-20-7-5-4-6-18(20)26-21(29)13-25-22(30)12-19-23(31)28(24(32)27-19)14-16-8-10-17(33-3)11-9-16/h4-11,15,19H,12-14H2,1-3H3,(H,25,30)(H,27,32)
InChIKeyAVIXLNNMJGBPDH-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.75
Rot. Bonds8

About 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide

2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 91821386) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
PubChem CID91821386
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc(CN2C(=O)NC(CC(=O)NCc3nc4ccccc4n3C(C)C)C2=O)cc1
InChIInChI=1S/C24H27N5O4/c1-15(2)29-20-7-5-4-6-18(20)26-21(29)13-25-22(30)12-19-23(31)28(24(32)27-19)14-16-8-10-17(33-3)11-9-16/h4-11,15,19H,12-14H2,1-3H3,(H,25,30)(H,27,32)
InChIKeyAVIXLNNMJGBPDH-UHFFFAOYSA-N
XLogP2.75
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 124860887
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 75490035
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489604
2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 124864442
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 91821929
N-(2-hydroxyethyl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491048
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75489558
N-[3-(1H-benzimidazol-2-yl)propyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124862993
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
N-[2-(dimethylamino)ethyl]-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356959
3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489076
2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 91638940

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide (CID 91821386) is 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide is COc1ccc(CN2C(=O)NC(CC(=O)NCc3nc4ccccc4n3C(C)C)C2=O)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
The InChIKey is AVIXLNNMJGBPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-15(2)29-20-7-5-4-6-18(20)26-21(29)13-25-22(30)12-19-23(31)28(24(32)27-19)14-16-8-10-17(33-3)11-9-16/h4-11,15,19H,12-14H2,1-3H3,(H,25,30)(H,27,32).
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 449.51 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 91821386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).