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

C12H22N2O2 — CID 91150999

IUPAC5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one
SMILESCC(C)CCn1cc(C(O)C(C)C)[nH]c1=O
InChIInChI=1S/C12H22N2O2/c1-8(2)5-6-14-7-10(13-12(14)16)11(15)9(3)4/h7-9,11,15H,5-6H2,1-4H3,(H,13,16)
InChIKeyCITQSBFJZYOUTP-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.91
Rot. Bonds5

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

5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one (PubChem CID 91150999) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one
PubChem CID91150999
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one
SMILESCC(C)CCn1cc(C(O)C(C)C)[nH]c1=O
InChIInChI=1S/C12H22N2O2/c1-8(2)5-6-14-7-10(13-12(14)16)11(15)9(3)4/h7-9,11,15H,5-6H2,1-4H3,(H,13,16)
InChIKeyCITQSBFJZYOUTP-UHFFFAOYSA-N
XLogP1.91
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.91
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-(3-methylbutyl)-1H-imidazol-2-one?
The IUPAC name of 5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one (CID 91150999) is 5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one is CC(C)CCn1cc(C(O)C(C)C)[nH]c1=O.
What is the InChIKey of 5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one?
The InChIKey is CITQSBFJZYOUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(2)5-6-14-7-10(13-12(14)16)11(15)9(3)4/h7-9,11,15H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one?
5-(1-hydroxy-2-methylpropyl)-3-(3-methylbutyl)-1H-imidazol-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.91, 5 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-(3-methylbutyl)-1H-imidazol-2-one is sourced from PubChem (CID 91150999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).