2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone

C6H10N2O2 — CID 89012976

IUPAC2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCC1=NCCN1C(=O)CO
InChIInChI=1S/C6H10N2O2/c1-5-7-2-3-8(5)6(10)4-9/h9H,2-4H2,1H3
InChIKeyQRLGNFGUGCBNES-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.76
Rot. Bonds1

About 2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone

2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone (PubChem CID 89012976) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone
PubChem CID89012976
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone
SMILESCC1=NCCN1C(=O)CO
InChIInChI=1S/C6H10N2O2/c1-5-7-2-3-8(5)6(10)4-9/h9H,2-4H2,1H3
InChIKeyQRLGNFGUGCBNES-UHFFFAOYSA-N
XLogP-0.76
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone (CID 89012976) is 2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone is CC1=NCCN1C(=O)CO.
What is the InChIKey of 2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone?
The InChIKey is QRLGNFGUGCBNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5-7-2-3-8(5)6(10)4-9/h9H,2-4H2,1H3.
What are the key properties of 2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone?
2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone has a molecular weight of 142.16 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methyl-4,5-dihydroimidazol-1-yl)ethanone is sourced from PubChem (CID 89012976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).