5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one

C12H15N3O3 — CID 79959271

IUPAC5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one
SMILESCOc1cccc(C2C(N)=NC(=O)N2C)c1OC
InChIInChI=1S/C12H15N3O3/c1-15-9(11(13)14-12(15)16)7-5-4-6-8(17-2)10(7)18-3/h4-6,9H,1-3H3,(H2,13,14,16)
InChIKeyKGABPWTUABICFV-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.17
Rot. Bonds3

About 5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one

5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one (PubChem CID 79959271) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one
PubChem CID79959271
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one
SMILESCOc1cccc(C2C(N)=NC(=O)N2C)c1OC
InChIInChI=1S/C12H15N3O3/c1-15-9(11(13)14-12(15)16)7-5-4-6-8(17-2)10(7)18-3/h4-6,9H,1-3H3,(H2,13,14,16)
InChIKeyKGABPWTUABICFV-UHFFFAOYSA-N
XLogP1.17
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
5-amino-3-but-3-yn-2-yl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 114420923
5-amino-4-(6-methoxy-3-pyridinyl)-3-methyl-4H-imidazol-2-one
CID 114939049
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
5-amino-3-cyclopropyl-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79961193
5-amino-3-but-3-yn-2-yl-4-(2-chloro-6-methoxyphenyl)-4H-imidazol-2-one
CID 114420821
5-amino-3-ethyl-4-naphthalen-1-yl-4H-imidazol-2-one
CID 79961258
6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83822143
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
5-(2,3-dimethoxyphenyl)-2-imino-3-methyl-1,3-oxazolidin-4-one
CID 121002490
5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967027
6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
CID 13131698

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one (CID 79959271) is 5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one is COc1cccc(C2C(N)=NC(=O)N2C)c1OC.
What is the InChIKey of 5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one?
The InChIKey is KGABPWTUABICFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-15-9(11(13)14-12(15)16)7-5-4-6-8(17-2)10(7)18-3/h4-6,9H,1-3H3,(H2,13,14,16).
What are the key properties of 5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one?
5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one has a molecular weight of 249.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 79959271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).