1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one

C11H19ClN2O — CID 80580219

IUPAC1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCCCCCl)c1=O
InChIInChI=1S/C11H19ClN2O/c1-10(2)14-9-8-13(11(14)15)7-5-3-4-6-12/h8-10H,3-7H2,1-2H3
InChIKeyUQBZXXONHLTVTO-UHFFFAOYSA-N
MW230.74 g/mol
LogP2.64
Rot. Bonds6

About 1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one

1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one (PubChem CID 80580219) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one
PubChem CID80580219
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCCCCCl)c1=O
InChIInChI=1S/C11H19ClN2O/c1-10(2)14-9-8-13(11(14)15)7-5-3-4-6-12/h8-10H,3-7H2,1-2H3
InChIKeyUQBZXXONHLTVTO-UHFFFAOYSA-N
XLogP2.64
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one (CID 80580219) is 1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CCCCCCl)c1=O.
What is the InChIKey of 1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is UQBZXXONHLTVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O/c1-10(2)14-9-8-13(11(14)15)7-5-3-4-6-12/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one?
1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 230.74 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80580219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).