4-(hydroxymethyl)-1,3-dimethylimidazol-2-one

C6H10N2O2 — CID 124707036

IUPAC4-(hydroxymethyl)-1,3-dimethylimidazol-2-one
SMILESCn1cc(CO)n(C)c1=O
InChIInChI=1S/C6H10N2O2/c1-7-3-5(4-9)8(2)6(7)10/h3,9H,4H2,1-2H3
InChIKeyOIVPIJPVELOFJR-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.78
Rot. Bonds1

About 4-(hydroxymethyl)-1,3-dimethylimidazol-2-one

4-(hydroxymethyl)-1,3-dimethylimidazol-2-one (PubChem CID 124707036) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1,3-dimethylimidazol-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1,3-dimethylimidazol-2-one
PubChem CID124707036
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name4-(hydroxymethyl)-1,3-dimethylimidazol-2-one
SMILESCn1cc(CO)n(C)c1=O
InChIInChI=1S/C6H10N2O2/c1-7-3-5(4-9)8(2)6(7)10/h3,9H,4H2,1-2H3
InChIKeyOIVPIJPVELOFJR-UHFFFAOYSA-N
XLogP-0.78
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)-1,3-dimethyl-2H-imidazol-4-yl]methanol
CID 23026367
4-(Hydroxymethyl)-1,3-dihydroimidazol-2-one
CID 54466280
5-(dihydroxymethyl)-3-methyl-1H-imidazol-2-one
CID 57147740
(1,2,3-trimethyl-2H-imidazol-4-yl)methanol
CID 67521278
4-Hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one
CID 91091137
4-(hydroxymethyl)-3-methyl-1H-imidazol-2-one
CID 132118427
3-(2-hydroxyethyl)-4-methyl-1H-imidazol-2-one
CID 84013464
3-(2-Hydroxypropyl)-1,4-dimethylimidazol-2-one
CID 112545285
3-(1-Hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one
CID 112545286
4-(Hydroxymethyl)-3-methyl-1-(2-methylpropyl)-2,3-dihydro-1H-imidazol-2-one
CID 125456400
1-Ethyl-4-(hydroxymethyl)-3-methyl-2,3-dihydro-1H-imidazol-2-one
CID 125457192
4-(Hydroxymethyl)-3-methyl-1-propyl-2,3-dihydro-1H-imidazol-2-one
CID 125457690

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1,3-dimethylimidazol-2-one?
The IUPAC name of 4-(hydroxymethyl)-1,3-dimethylimidazol-2-one (CID 124707036) is 4-(hydroxymethyl)-1,3-dimethylimidazol-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1,3-dimethylimidazol-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1,3-dimethylimidazol-2-one is Cn1cc(CO)n(C)c1=O.
What is the InChIKey of 4-(hydroxymethyl)-1,3-dimethylimidazol-2-one?
The InChIKey is OIVPIJPVELOFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-7-3-5(4-9)8(2)6(7)10/h3,9H,4H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-1,3-dimethylimidazol-2-one?
4-(hydroxymethyl)-1,3-dimethylimidazol-2-one has a molecular weight of 142.16 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1,3-dimethylimidazol-2-one is sourced from PubChem (CID 124707036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).