4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one

C11H20N2O — CID 155116176

IUPAC4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one
SMILESCCCC(C)c1[nH]c(=O)n(C)c1CC
InChIInChI=1S/C11H20N2O/c1-5-7-8(3)10-9(6-2)13(4)11(14)12-10/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyPRYSDVQCWBVEHZ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.18
Rot. Bonds4

About 4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one

4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one (PubChem CID 155116176) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one
PubChem CID155116176
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one
SMILESCCCC(C)c1[nH]c(=O)n(C)c1CC
InChIInChI=1S/C11H20N2O/c1-5-7-8(3)10-9(6-2)13(4)11(14)12-10/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyPRYSDVQCWBVEHZ-UHFFFAOYSA-N
XLogP2.18
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one?
The IUPAC name of 4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one (CID 155116176) is 4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one is CCCC(C)c1[nH]c(=O)n(C)c1CC.
What is the InChIKey of 4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one?
The InChIKey is PRYSDVQCWBVEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-7-8(3)10-9(6-2)13(4)11(14)12-10/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one?
4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-5-pentan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 155116176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).