3-dodecyl-4-hydroxy-1-methylimidazol-2-one

C16H30N2O2 — CID 91073512

IUPAC3-dodecyl-4-hydroxy-1-methylimidazol-2-one
SMILESCCCCCCCCCCCCn1c(O)cn(C)c1=O
InChIInChI=1S/C16H30N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(19)14-17(2)16(18)20/h14,19H,3-13H2,1-2H3
InChIKeyITFLNJLVHFSBJK-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.81
Rot. Bonds11

About 3-dodecyl-4-hydroxy-1-methylimidazol-2-one

3-dodecyl-4-hydroxy-1-methylimidazol-2-one (PubChem CID 91073512) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-dodecyl-4-hydroxy-1-methylimidazol-2-one.

Molecular Properties

Compound Name3-dodecyl-4-hydroxy-1-methylimidazol-2-one
PubChem CID91073512
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-dodecyl-4-hydroxy-1-methylimidazol-2-one
SMILESCCCCCCCCCCCCn1c(O)cn(C)c1=O
InChIInChI=1S/C16H30N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(19)14-17(2)16(18)20/h14,19H,3-13H2,1-2H3
InChIKeyITFLNJLVHFSBJK-UHFFFAOYSA-N
XLogP3.81
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-4-hydroxy-1-methylimidazol-2-one?
The IUPAC name of 3-dodecyl-4-hydroxy-1-methylimidazol-2-one (CID 91073512) is 3-dodecyl-4-hydroxy-1-methylimidazol-2-one.
What is the SMILES notation for 3-dodecyl-4-hydroxy-1-methylimidazol-2-one?
The canonical SMILES for 3-dodecyl-4-hydroxy-1-methylimidazol-2-one is CCCCCCCCCCCCn1c(O)cn(C)c1=O.
What is the InChIKey of 3-dodecyl-4-hydroxy-1-methylimidazol-2-one?
The InChIKey is ITFLNJLVHFSBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(19)14-17(2)16(18)20/h14,19H,3-13H2,1-2H3.
What are the key properties of 3-dodecyl-4-hydroxy-1-methylimidazol-2-one?
3-dodecyl-4-hydroxy-1-methylimidazol-2-one has a molecular weight of 282.43 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-4-hydroxy-1-methylimidazol-2-one is sourced from PubChem (CID 91073512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).