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

C21H21N5O4 — CID 71709403

IUPAC2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
SMILESCOc1ccc(CN2C(=O)NC(CC(=O)Nc3ccc4c(c3)ncn4C)C2=O)cc1
InChIInChI=1S/C21H21N5O4/c1-25-12-22-16-9-14(5-8-18(16)25)23-19(27)10-17-20(28)26(21(29)24-17)11-13-3-6-15(30-2)7-4-13/h3-9,12,17H,10-11H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyAYVOXGOHFGQYIF-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.03
Rot. Bonds6

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

2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide (PubChem CID 71709403) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
PubChem CID71709403
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
SMILESCOc1ccc(CN2C(=O)NC(CC(=O)Nc3ccc4c(c3)ncn4C)C2=O)cc1
InChIInChI=1S/C21H21N5O4/c1-25-12-22-16-9-14(5-8-18(16)25)23-19(27)10-17-20(28)26(21(29)24-17)11-13-3-6-15(30-2)7-4-13/h3-9,12,17H,10-11H2,1-2H3,(H,23,27)(H,24,29)
InChIKeyAYVOXGOHFGQYIF-UHFFFAOYSA-N
XLogP2.03
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.03
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-(1-methylbenzimidazol-5-yl)acetamide
CID 124860705
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide
CID 91640478
N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356866
N-(1,3-benzodioxol-5-yl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531893
N-(1,3-benzodioxol-5-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71825917
2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 124864442
2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide
CID 97264562
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71708282
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71828189
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 91639594
N-cyclohexyl-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124863994

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide (CID 71709403) is 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide is COc1ccc(CN2C(=O)NC(CC(=O)Nc3ccc4c(c3)ncn4C)C2=O)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
The InChIKey is AYVOXGOHFGQYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-25-12-22-16-9-14(5-8-18(16)25)23-19(27)10-17-20(28)26(21(29)24-17)11-13-3-6-15(30-2)7-4-13/h3-9,12,17H,10-11H2,1-2H3,(H,23,27)(H,24,29).
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide?
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide has a molecular weight of 407.43 g/mol, XLogP of 2.03, 6 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-methylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 71709403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).