(4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one

C11H10N2O2 — CID 11805766

IUPAC(4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one
SMILESC[C@@]1(O)C2=NCC(=O)N2c2ccccc21
InChIInChI=1S/C11H10N2O2/c1-11(15)7-4-2-3-5-8(7)13-9(14)6-12-10(11)13/h2-5,15H,6H2,1H3/t11-/m0/s1
InChIKeyOBKJYCGVGCXWGF-NSHDSACASA-N
MW202.21 g/mol
LogP0.65
Rot. Bonds

About (4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one

(4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one (PubChem CID 11805766) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one
PubChem CID11805766
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one
SMILESC[C@@]1(O)C2=NCC(=O)N2c2ccccc21
InChIInChI=1S/C11H10N2O2/c1-11(15)7-4-2-3-5-8(7)13-9(14)6-12-10(11)13/h2-5,15H,6H2,1H3/t11-/m0/s1
InChIKeyOBKJYCGVGCXWGF-NSHDSACASA-N
XLogP0.65
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one?
The IUPAC name of (4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one (CID 11805766) is (4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one.
What is the SMILES notation for (4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one?
The canonical SMILES for (4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one is C[C@@]1(O)C2=NCC(=O)N2c2ccccc21.
What is the InChIKey of (4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one?
The InChIKey is OBKJYCGVGCXWGF-NSHDSACASA-N. The full InChI is InChI=1S/C11H10N2O2/c1-11(15)7-4-2-3-5-8(7)13-9(14)6-12-10(11)13/h2-5,15H,6H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one?
(4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one has a molecular weight of 202.21 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-4-methyl-2H-imidazo[1,2-a]indol-1-one is sourced from PubChem (CID 11805766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).