4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one

C8H14N2O2 — CID 125457690

IUPAC4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one
SMILESCCCn1cc(CO)n(C)c1=O
InChIInChI=1S/C8H14N2O2/c1-3-4-10-5-7(6-11)9(2)8(10)12/h5,11H,3-4,6H2,1-2H3
InChIKeyUGQCEYLDGBYHQJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.09
Rot. Bonds3

About 4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one

4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one (PubChem CID 125457690) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one
PubChem CID125457690
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one
SMILESCCCn1cc(CO)n(C)c1=O
InChIInChI=1S/C8H14N2O2/c1-3-4-10-5-7(6-11)9(2)8(10)12/h5,11H,3-4,6H2,1-2H3
InChIKeyUGQCEYLDGBYHQJ-UHFFFAOYSA-N
XLogP0.09
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.09
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-Hydroxy-3-(2-hydroxyethyl)-1-propan-2-ylimidazol-2-one
CID 91091137
4-(hydroxymethyl)-3-methyl-1H-imidazol-2-one
CID 132118427
1-(2-Hydroxyethyl)-3-propylimidazol-2-one
CID 80581433
3-(2-Hydroxypropyl)-1,4-dimethylimidazol-2-one
CID 112545285
3-(1-Hydroxypropan-2-yl)-1,4-dimethylimidazol-2-one
CID 112545286
4-(Hydroxymethyl)-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-one
CID 124707036
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

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one (CID 125457690) is 4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one is CCCn1cc(CO)n(C)c1=O.
What is the InChIKey of 4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one?
The InChIKey is UGQCEYLDGBYHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-4-10-5-7(6-11)9(2)8(10)12/h5,11H,3-4,6H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one?
4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-methyl-1-propylimidazol-2-one is sourced from PubChem (CID 125457690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).