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

C14H19N3O3 — CID 79967027

IUPAC5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCOc1ccc(OC)c(C2C(N)=NC(=O)N2C(C)C)c1
InChIInChI=1S/C14H19N3O3/c1-8(2)17-12(13(15)16-14(17)18)10-7-9(19-3)5-6-11(10)20-4/h5-8,12H,1-4H3,(H2,15,16,18)
InChIKeyWRFGBBONEOQGCK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.95
Rot. Bonds4

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

5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one (PubChem CID 79967027) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
PubChem CID79967027
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
SMILESCOc1ccc(OC)c(C2C(N)=NC(=O)N2C(C)C)c1
InChIInChI=1S/C14H19N3O3/c1-8(2)17-12(13(15)16-14(17)18)10-7-9(19-3)5-6-11(10)20-4/h5-8,12H,1-4H3,(H2,15,16,18)
InChIKeyWRFGBBONEOQGCK-UHFFFAOYSA-N
XLogP1.95
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-but-3-yn-2-yl-4-(2,5-dimethoxyphenyl)-4H-imidazol-2-one
CID 114420980
5-amino-4-(3-methoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967392
5-amino-4-(2,4-dimethoxyphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
CID 79959429
5-amino-3-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967942
5-amino-3-cyclopropyl-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79961193
5-amino-3-propan-2-yl-4-(3-propan-2-yloxyphenyl)-4H-imidazol-2-one
CID 79967024
2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one
CID 71372820
5-amino-3-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-4H-imidazol-2-one
CID 79971673
5-amino-4-(3-methylphenyl)-3-propan-2-yl-4H-imidazol-2-one
CID 79967121
5-amino-4-(2-bromo-4-methoxyphenyl)-3-ethyl-4H-imidazol-2-one
CID 112749216
5-amino-4-(5-ethylthiophen-2-yl)-3-propan-2-yl-4H-imidazol-2-one
CID 79968353
5-amino-3-but-3-yn-2-yl-4-(2-chloro-6-methoxyphenyl)-4H-imidazol-2-one
CID 114420821

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one (CID 79967027) is 5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one is COc1ccc(OC)c(C2C(N)=NC(=O)N2C(C)C)c1.
What is the InChIKey of 5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one?
The InChIKey is WRFGBBONEOQGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8(2)17-12(13(15)16-14(17)18)10-7-9(19-3)5-6-11(10)20-4/h5-8,12H,1-4H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one?
5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one has a molecular weight of 277.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,5-dimethoxyphenyl)-3-propan-2-yl-4H-imidazol-2-one is sourced from PubChem (CID 79967027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).