3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one

C12H12N4O2 — CID 82385876

IUPAC3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one
SMILESCc1c(-c2cn(N)c(=O)[nH]2)[nH]c2cccc(O)c12
InChIInChI=1S/C12H12N4O2/c1-6-10-7(3-2-4-9(10)17)14-11(6)8-5-16(13)12(18)15-8/h2-5,14,17H,13H2,1H3,(H,15,18)
InChIKeyXAXMBNGIDYSDHR-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.05
Rot. Bonds1

About 3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one

3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one (PubChem CID 82385876) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one
PubChem CID82385876
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one
SMILESCc1c(-c2cn(N)c(=O)[nH]2)[nH]c2cccc(O)c12
InChIInChI=1S/C12H12N4O2/c1-6-10-7(3-2-4-9(10)17)14-11(6)8-5-16(13)12(18)15-8/h2-5,14,17H,13H2,1H3,(H,15,18)
InChIKeyXAXMBNGIDYSDHR-UHFFFAOYSA-N
XLogP1.05
TPSA99.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one?
The IUPAC name of 3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one (CID 82385876) is 3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one is Cc1c(-c2cn(N)c(=O)[nH]2)[nH]c2cccc(O)c12.
What is the InChIKey of 3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one?
The InChIKey is XAXMBNGIDYSDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-6-10-7(3-2-4-9(10)17)14-11(6)8-5-16(13)12(18)15-8/h2-5,14,17H,13H2,1H3,(H,15,18).
What are the key properties of 3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one?
3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one has a molecular weight of 244.25 g/mol, XLogP of 1.05, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-hydroxy-3-methyl-1H-indol-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 82385876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).