5-butyl-3-cyclopentyl-1H-imidazol-2-one

C12H20N2O — CID 18384336

IUPAC5-butyl-3-cyclopentyl-1H-imidazol-2-one
SMILESCCCCc1cn(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H20N2O/c1-2-3-6-10-9-14(12(15)13-10)11-7-4-5-8-11/h9,11H,2-8H2,1H3,(H,13,15)
InChIKeyXJLYQNUUQQHADQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.63
Rot. Bonds4

About 5-butyl-3-cyclopentyl-1H-imidazol-2-one

5-butyl-3-cyclopentyl-1H-imidazol-2-one (PubChem CID 18384336) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-butyl-3-cyclopentyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-cyclopentyl-1H-imidazol-2-one
PubChem CID18384336
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name5-butyl-3-cyclopentyl-1H-imidazol-2-one
SMILESCCCCc1cn(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H20N2O/c1-2-3-6-10-9-14(12(15)13-10)11-7-4-5-8-11/h9,11H,2-8H2,1H3,(H,13,15)
InChIKeyXJLYQNUUQQHADQ-UHFFFAOYSA-N
XLogP2.63
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-cyclopentyl-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-cyclopentyl-1H-imidazol-2-one (CID 18384336) is 5-butyl-3-cyclopentyl-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-cyclopentyl-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-cyclopentyl-1H-imidazol-2-one is CCCCc1cn(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-cyclopentyl-1H-imidazol-2-one?
The InChIKey is XJLYQNUUQQHADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-6-10-9-14(12(15)13-10)11-7-4-5-8-11/h9,11H,2-8H2,1H3,(H,13,15).
What are the key properties of 5-butyl-3-cyclopentyl-1H-imidazol-2-one?
5-butyl-3-cyclopentyl-1H-imidazol-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-cyclopentyl-1H-imidazol-2-one is sourced from PubChem (CID 18384336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).