2-(3-methylbutyl)-1,4-dihydroimidazol-5-one

C8H14N2O — CID 20774502

IUPAC2-(3-methylbutyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)CCC1=NCC(=O)N1
InChIInChI=1S/C8H14N2O/c1-6(2)3-4-7-9-5-8(11)10-7/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyIQHGTDWPLAZDFN-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.95
Rot. Bonds3

About 2-(3-methylbutyl)-1,4-dihydroimidazol-5-one

2-(3-methylbutyl)-1,4-dihydroimidazol-5-one (PubChem CID 20774502) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(3-methylbutyl)-1,4-dihydroimidazol-5-one
PubChem CID20774502
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(3-methylbutyl)-1,4-dihydroimidazol-5-one
SMILESCC(C)CCC1=NCC(=O)N1
InChIInChI=1S/C8H14N2O/c1-6(2)3-4-7-9-5-8(11)10-7/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyIQHGTDWPLAZDFN-UHFFFAOYSA-N
XLogP0.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(3-methylbutyl)-1,4-dihydroimidazol-5-one (CID 20774502) is 2-(3-methylbutyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(3-methylbutyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(3-methylbutyl)-1,4-dihydroimidazol-5-one is CC(C)CCC1=NCC(=O)N1.
What is the InChIKey of 2-(3-methylbutyl)-1,4-dihydroimidazol-5-one?
The InChIKey is IQHGTDWPLAZDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)3-4-7-9-5-8(11)10-7/h6H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 2-(3-methylbutyl)-1,4-dihydroimidazol-5-one?
2-(3-methylbutyl)-1,4-dihydroimidazol-5-one has a molecular weight of 154.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 20774502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).