1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one

C17H20N4O2 — CID 51095898

IUPAC1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one
SMILESCc1cc(-n2c(C)cn(CN(C)Cc3ccccc3)c2=O)no1
InChIInChI=1S/C17H20N4O2/c1-13-10-20(12-19(3)11-15-7-5-4-6-8-15)17(22)21(13)16-9-14(2)23-18-16/h4-10H,11-12H2,1-3H3
InChIKeyVAJDUAUVLLGYCZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.33
Rot. Bonds5

About 1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one

1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one (PubChem CID 51095898) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one.

Molecular Properties

Compound Name1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one
PubChem CID51095898
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one
SMILESCc1cc(-n2c(C)cn(CN(C)Cc3ccccc3)c2=O)no1
InChIInChI=1S/C17H20N4O2/c1-13-10-20(12-19(3)11-15-7-5-4-6-8-15)17(22)21(13)16-9-14(2)23-18-16/h4-10H,11-12H2,1-3H3
InChIKeyVAJDUAUVLLGYCZ-UHFFFAOYSA-N
XLogP2.33
TPSA56.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one?
The IUPAC name of 1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one (CID 51095898) is 1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one.
What is the SMILES notation for 1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one?
The canonical SMILES for 1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one is Cc1cc(-n2c(C)cn(CN(C)Cc3ccccc3)c2=O)no1.
What is the InChIKey of 1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one?
The InChIKey is VAJDUAUVLLGYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-10-20(12-19(3)11-15-7-5-4-6-8-15)17(22)21(13)16-9-14(2)23-18-16/h4-10H,11-12H2,1-3H3.
What are the key properties of 1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one?
1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one is sourced from PubChem (CID 51095898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).