4-butyl-5-methyl-1,3-dihydroimidazol-2-one

C8H14N2O — CID 13478904

IUPAC4-butyl-5-methyl-1,3-dihydroimidazol-2-one
SMILESCCCCc1[nH]c(=O)[nH]c1C
InChIInChI=1S/C8H14N2O/c1-3-4-5-7-6(2)9-8(11)10-7/h3-5H2,1-2H3,(H2,9,10,11)
InChIKeyHMMWHLGLXRUDJU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.35
Rot. Bonds3

About 4-butyl-5-methyl-1,3-dihydroimidazol-2-one

4-butyl-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 13478904) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-butyl-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-butyl-5-methyl-1,3-dihydroimidazol-2-one
PubChem CID13478904
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-butyl-5-methyl-1,3-dihydroimidazol-2-one
SMILESCCCCc1[nH]c(=O)[nH]c1C
InChIInChI=1S/C8H14N2O/c1-3-4-5-7-6(2)9-8(11)10-7/h3-5H2,1-2H3,(H2,9,10,11)
InChIKeyHMMWHLGLXRUDJU-UHFFFAOYSA-N
XLogP1.35
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-methyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-butyl-5-methyl-1,3-dihydroimidazol-2-one (CID 13478904) is 4-butyl-5-methyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-butyl-5-methyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-butyl-5-methyl-1,3-dihydroimidazol-2-one is CCCCc1[nH]c(=O)[nH]c1C.
What is the InChIKey of 4-butyl-5-methyl-1,3-dihydroimidazol-2-one?
The InChIKey is HMMWHLGLXRUDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-5-7-6(2)9-8(11)10-7/h3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 4-butyl-5-methyl-1,3-dihydroimidazol-2-one?
4-butyl-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 13478904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).