5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one

C12H15N3O2 — CID 79961251

IUPAC5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one
SMILESCOCc1cccc(C2C(N)=NC(=O)N2C)c1
InChIInChI=1S/C12H15N3O2/c1-15-10(11(13)14-12(15)16)9-5-3-4-8(6-9)7-17-2/h3-6,10H,7H2,1-2H3,(H2,13,14,16)
InChIKeyLEVWRZMUIPQTQU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.30
Rot. Bonds3

About 5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one

5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one (PubChem CID 79961251) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one
PubChem CID79961251
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one
SMILESCOCc1cccc(C2C(N)=NC(=O)N2C)c1
InChIInChI=1S/C12H15N3O2/c1-15-10(11(13)14-12(15)16)9-5-3-4-8(6-9)7-17-2/h3-6,10H,7H2,1-2H3,(H2,13,14,16)
InChIKeyLEVWRZMUIPQTQU-UHFFFAOYSA-N
XLogP1.30
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-(cyclopropylmethyl)-4-[3-(methoxymethyl)phenyl]-4H-imidazol-2-one
CID 79979531
1-cyclopropyl-4-imino-5-[3-(methoxymethyl)phenyl]imidazolidin-2-one
CID 138389220
5-amino-4-(2,3-dimethylphenyl)-3-methyl-4H-imidazol-2-one
CID 79961241
[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117341076
5-amino-3-cyclopropyl-4-(3-methylphenyl)-4H-imidazol-2-one
CID 79961022
4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one
CID 66106095
5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79498051
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
2-[3-(methoxymethyl)phenyl]-1,3-dithiane
CID 121001327
5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79973133
5-amino-4-naphthalen-2-yl-3-propyl-4H-imidazol-2-one
CID 79961605
3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
CID 113228936

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one (CID 79961251) is 5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one is COCc1cccc(C2C(N)=NC(=O)N2C)c1.
What is the InChIKey of 5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one?
The InChIKey is LEVWRZMUIPQTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-10(11(13)14-12(15)16)9-5-3-4-8(6-9)7-17-2/h3-6,10H,7H2,1-2H3,(H2,13,14,16).
What are the key properties of 5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one?
5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(methoxymethyl)phenyl]-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 79961251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).