4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one

C9H16N2O2 — CID 125456400

IUPAC4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one
SMILESCC(C)Cn1cc(CO)n(C)c1=O
InChIInChI=1S/C9H16N2O2/c1-7(2)4-11-5-8(6-12)10(3)9(11)13/h5,7,12H,4,6H2,1-3H3
InChIKeyIGWMJXJCNPTXLV-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.34
Rot. Bonds3

About 4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one

4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one (PubChem CID 125456400) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one
PubChem CID125456400
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one
SMILESCC(C)Cn1cc(CO)n(C)c1=O
InChIInChI=1S/C9H16N2O2/c1-7(2)4-11-5-8(6-12)10(3)9(11)13/h5,7,12H,4,6H2,1-3H3
InChIKeyIGWMJXJCNPTXLV-UHFFFAOYSA-N
XLogP0.34
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.34
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
(1-tert-butyl-3-methyl-2H-imidazol-4-yl)methanol
CID 156037502
3-(2-Hydroxypropyl)-1,4-dimethylimidazol-2-one
CID 112545285
4-(Hydroxymethyl)-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-one
CID 124707036
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)-3-methyl-1-(2-methylpropyl)imidazol-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one (CID 125456400) is 4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one is CC(C)Cn1cc(CO)n(C)c1=O.
What is the InChIKey of 4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one?
The InChIKey is IGWMJXJCNPTXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(2)4-11-5-8(6-12)10(3)9(11)13/h5,7,12H,4,6H2,1-3H3.
What are the key properties of 4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one?
4-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)imidazol-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.34, 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-(2-methylpropyl)imidazol-2-one is sourced from PubChem (CID 125456400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).