2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide

C14H18N4O2 — CID 79967216

IUPAC2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1C(N)=NC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H18N4O2/c1-17(2)12(19)8-11-13(15)16-14(20)18(11)9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,15,16,20)
InChIKeyRTPLKCFDJFVVKA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.83
Rot. Bonds4

About 2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide

2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide (PubChem CID 79967216) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide
PubChem CID79967216
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1C(N)=NC(=O)N1Cc1ccccc1
InChIInChI=1S/C14H18N4O2/c1-17(2)12(19)8-11-13(15)16-14(20)18(11)9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,15,16,20)
InChIKeyRTPLKCFDJFVVKA-UHFFFAOYSA-N
XLogP0.83
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-benzyl-4-(2-bromophenyl)-4H-imidazol-2-one
CID 79973555
5-amino-3-benzyl-4-(oxan-3-yl)-4H-imidazol-2-one
CID 79966941
5-amino-3-benzyl-4-(5-methyloxolan-2-yl)-4H-imidazol-2-one
CID 82838803
5-amino-3-benzyl-4-[4-(2-methylpropyl)phenyl]-4H-imidazol-2-one
CID 113254024
5-amino-3-benzyl-4-(1,3-dimethylpyrazol-4-yl)-4H-imidazol-2-one
CID 83094848
2-[5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazol-4-yl]-N,N-diethylacetamide
CID 79959476
2-[(3aR,7S,7aS)-2-benzyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N,N-dimethylacetamide
CID 97387658
(4S,5R)-1,3-dibenzyl-5-[methyl(2-phenylethyl)carbamoyl]-2-oxoimidazolidine-4-carboxylic acid
CID 70552988
4-amino-1-benzyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967312
2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid
CID 3486622
2-[(3R,4R,5S)-4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl]acetic acid
CID 928429
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide (CID 79967216) is 2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1C(N)=NC(=O)N1Cc1ccccc1.
What is the InChIKey of 2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide?
The InChIKey is RTPLKCFDJFVVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(2)12(19)8-11-13(15)16-14(20)18(11)9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,15,16,20).
What are the key properties of 2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide?
2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide has a molecular weight of 274.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-benzyl-2-oxo-4H-imidazol-4-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 79967216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).