2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one

C13H17N3O2 — CID 170158270

IUPAC2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one
SMILESCOCC(NC1=NCC(=O)N1C)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-16-12(17)8-14-13(16)15-11(9-18-2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
InChIKeyVUXAJMULDSVWMU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.79
Rot. Bonds4

About 2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one

2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one (PubChem CID 170158270) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one
PubChem CID170158270
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one
SMILESCOCC(NC1=NCC(=O)N1C)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-16-12(17)8-14-13(16)15-11(9-18-2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
InChIKeyVUXAJMULDSVWMU-UHFFFAOYSA-N
XLogP0.79
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
CID 103464013
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
CID 103463701
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
2-[(2-methoxy-1-phenylethyl)amino]benzoic acid
CID 103463586
3-bromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463420
2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline
CID 103463971
2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 103464752
N-(2-methoxy-1-phenylethyl)-4-methylpyridin-3-amine
CID 103464259
2-[(2-methoxy-1-phenylethyl)amino]-N,N-dimethylethanesulfonamide
CID 106334908
2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine
CID 103464163

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one?
The IUPAC name of 2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one (CID 170158270) is 2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one.
What is the SMILES notation for 2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one?
The canonical SMILES for 2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one is COCC(NC1=NCC(=O)N1C)c1ccccc1.
What is the InChIKey of 2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one?
The InChIKey is VUXAJMULDSVWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-12(17)8-14-13(16)15-11(9-18-2)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one?
2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one has a molecular weight of 247.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-1-phenylethyl)amino]-1-methyl-4H-imidazol-5-one is sourced from PubChem (CID 170158270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).