4-bromo-3-cyclopentyl-1H-imidazol-2-one

C8H11BrN2O — CID 172993328

IUPAC4-bromo-3-cyclopentyl-1H-imidazol-2-one
SMILESO=c1[nH]cc(Br)n1C1CCCC1
InChIInChI=1S/C8H11BrN2O/c9-7-5-10-8(12)11(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,12)
InChIKeyFZVFBQFSHLTRRE-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.05
Rot. Bonds1

About 4-bromo-3-cyclopentyl-1H-imidazol-2-one

4-bromo-3-cyclopentyl-1H-imidazol-2-one (PubChem CID 172993328) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 4-bromo-3-cyclopentyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-bromo-3-cyclopentyl-1H-imidazol-2-one
PubChem CID172993328
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name4-bromo-3-cyclopentyl-1H-imidazol-2-one
SMILESO=c1[nH]cc(Br)n1C1CCCC1
InChIInChI=1S/C8H11BrN2O/c9-7-5-10-8(12)11(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,12)
InChIKeyFZVFBQFSHLTRRE-UHFFFAOYSA-N
XLogP2.05
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-cyclopentyl-1H-imidazol-2-one?
The IUPAC name of 4-bromo-3-cyclopentyl-1H-imidazol-2-one (CID 172993328) is 4-bromo-3-cyclopentyl-1H-imidazol-2-one.
What is the SMILES notation for 4-bromo-3-cyclopentyl-1H-imidazol-2-one?
The canonical SMILES for 4-bromo-3-cyclopentyl-1H-imidazol-2-one is O=c1[nH]cc(Br)n1C1CCCC1.
What is the InChIKey of 4-bromo-3-cyclopentyl-1H-imidazol-2-one?
The InChIKey is FZVFBQFSHLTRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c9-7-5-10-8(12)11(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,12).
What are the key properties of 4-bromo-3-cyclopentyl-1H-imidazol-2-one?
4-bromo-3-cyclopentyl-1H-imidazol-2-one has a molecular weight of 231.09 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-cyclopentyl-1H-imidazol-2-one is sourced from PubChem (CID 172993328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).