2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one

C13H17N3O2 — CID 82997997

IUPAC2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one
SMILESCC(C)Oc1ccc(C2(C)N=C(N)NC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-8(2)18-10-6-4-9(5-7-10)13(3)11(17)15-12(14)16-13/h4-8H,1-3H3,(H3,14,15,16,17)
InChIKeyFGDFMOHCQORJCD-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.13
Rot. Bonds3

About 2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one

2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one (PubChem CID 82997997) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one
PubChem CID82997997
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one
SMILESCC(C)Oc1ccc(C2(C)N=C(N)NC2=O)cc1
InChIInChI=1S/C13H17N3O2/c1-8(2)18-10-6-4-9(5-7-10)13(3)11(17)15-12(14)16-13/h4-8H,1-3H3,(H3,14,15,16,17)
InChIKeyFGDFMOHCQORJCD-UHFFFAOYSA-N
XLogP1.13
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one (CID 82997997) is 2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one is CC(C)Oc1ccc(C2(C)N=C(N)NC2=O)cc1.
What is the InChIKey of 2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one?
The InChIKey is FGDFMOHCQORJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)18-10-6-4-9(5-7-10)13(3)11(17)15-12(14)16-13/h4-8H,1-3H3,(H3,14,15,16,17).
What are the key properties of 2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one?
2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one has a molecular weight of 247.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 82997997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).