N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide

C17H19N5O3 — CID 77083818

IUPACN-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C17H19N5O3/c1-21(15(23)9-13-16(24)20-17(25)19-13)11-14-18-7-8-22(14)10-12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H2,19,20,24,25)
InChIKeyLTAUGXXJGURRNU-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.49
Rot. Bonds6

About N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide

N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide (PubChem CID 77083818) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
PubChem CID77083818
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C17H19N5O3/c1-21(15(23)9-13-16(24)20-17(25)19-13)11-14-18-7-8-22(14)10-12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H2,19,20,24,25)
InChIKeyLTAUGXXJGURRNU-UHFFFAOYSA-N
XLogP0.49
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.49
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-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 90651517
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 95221460
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122566922
2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
CID 95875059
(1R,2S,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98201282
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
(2S)-N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethylazepane-2-carboxamide
CID 97195532
(4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95209591
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 72872063
(1R,2R,4S)-N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 146044537
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 95897893

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide (CID 77083818) is N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide is CN(Cc1nccn1Cc1ccccc1)C(=O)CC1NC(=O)NC1=O.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide?
The InChIKey is LTAUGXXJGURRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-21(15(23)9-13-16(24)20-17(25)19-13)11-14-18-7-8-22(14)10-12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H2,19,20,24,25).
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide?
N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide has a molecular weight of 341.37 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide is sourced from PubChem (CID 77083818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).