1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one

C12H20N2O2 — CID 80583183

IUPAC1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one
SMILESCC(O)CCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H20N2O2/c1-10(15)4-2-3-7-13-8-9-14(12(13)16)11-5-6-11/h8-11,15H,2-7H2,1H3
InChIKeyVZTHBKWDHREMBA-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.54
Rot. Bonds6

About 1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one

1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one (PubChem CID 80583183) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one
PubChem CID80583183
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one
SMILESCC(O)CCCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H20N2O2/c1-10(15)4-2-3-7-13-8-9-14(12(13)16)11-5-6-11/h8-11,15H,2-7H2,1H3
InChIKeyVZTHBKWDHREMBA-UHFFFAOYSA-N
XLogP1.54
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.54
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 1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one (CID 80583183) is 1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one is CC(O)CCCCn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one?
The InChIKey is VZTHBKWDHREMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(15)4-2-3-7-13-8-9-14(12(13)16)11-5-6-11/h8-11,15H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one?
1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(5-hydroxyhexyl)imidazol-2-one is sourced from PubChem (CID 80583183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).