5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one

C8H14N2O2 — CID 91604771

IUPAC5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one
SMILESCC(C)C(O)c1cn(C)c(=O)[nH]1
InChIInChI=1S/C8H14N2O2/c1-5(2)7(11)6-4-10(3)8(12)9-6/h4-5,7,11H,1-3H3,(H,9,12)
InChIKeyLRSQTLKYGPCEBA-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.40
Rot. Bonds2

About 5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one

5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one (PubChem CID 91604771) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one
PubChem CID91604771
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one
SMILESCC(C)C(O)c1cn(C)c(=O)[nH]1
InChIInChI=1S/C8H14N2O2/c1-5(2)7(11)6-4-10(3)8(12)9-6/h4-5,7,11H,1-3H3,(H,9,12)
InChIKeyLRSQTLKYGPCEBA-UHFFFAOYSA-N
XLogP0.40
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one?
The IUPAC name of 5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one (CID 91604771) is 5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one.
What is the SMILES notation for 5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one?
The canonical SMILES for 5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one is CC(C)C(O)c1cn(C)c(=O)[nH]1.
What is the InChIKey of 5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one?
The InChIKey is LRSQTLKYGPCEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5(2)7(11)6-4-10(3)8(12)9-6/h4-5,7,11H,1-3H3,(H,9,12).
What are the key properties of 5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one?
5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-methylpropyl)-3-methyl-1H-imidazol-2-one is sourced from PubChem (CID 91604771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).