5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one

C14H24N2O — CID 18384390

IUPAC5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one
SMILESCCCCc1cn(CCC2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H24N2O/c1-2-3-8-13-11-16(14(17)15-13)10-9-12-6-4-5-7-12/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyAYZAVLSXQFIEEL-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.10
Rot. Bonds6

About 5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one

5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one (PubChem CID 18384390) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one
PubChem CID18384390
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one
SMILESCCCCc1cn(CCC2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H24N2O/c1-2-3-8-13-11-16(14(17)15-13)10-9-12-6-4-5-7-12/h11-12H,2-10H2,1H3,(H,15,17)
InChIKeyAYZAVLSXQFIEEL-UHFFFAOYSA-N
XLogP3.10
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one (CID 18384390) is 5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one is CCCCc1cn(CCC2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one?
The InChIKey is AYZAVLSXQFIEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-8-13-11-16(14(17)15-13)10-9-12-6-4-5-7-12/h11-12H,2-10H2,1H3,(H,15,17).
What are the key properties of 5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one?
5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one has a molecular weight of 236.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one is sourced from PubChem (CID 18384390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).