2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one

C11H20N2OS — CID 106952956

IUPAC2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(CSC(C)CC)NC1=O
InChIInChI=1S/C11H20N2OS/c1-4-6-9-11(14)13-10(12-9)7-15-8(3)5-2/h8-9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyVTPAXEIFFXDINX-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.22
Rot. Bonds6

About 2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one

2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one (PubChem CID 106952956) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one
PubChem CID106952956
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one
SMILESCCCC1N=C(CSC(C)CC)NC1=O
InChIInChI=1S/C11H20N2OS/c1-4-6-9-11(14)13-10(12-9)7-15-8(3)5-2/h8-9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyVTPAXEIFFXDINX-UHFFFAOYSA-N
XLogP2.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952933
2-(1-methoxyethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952910
2-tert-butyl-4-propyl-1,4-dihydroimidazol-5-one
CID 106952812
2-(1-ethoxypropyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952938
4-heptyl-2-(propan-2-ylamino)-1,4-dihydroimidazol-5-one
CID 82998669
2-(3-methoxypentan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952802
4-ethyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106952587
4-ethyl-2-(methylsulfonylmethyl)-1,4-dihydroimidazol-5-one
CID 106952590
2-(1,1-dioxothiolan-3-yl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952855
2-(6-methyl-2-pyridinyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952926
2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79429800
4-methyl-2-(2-methylpropyl)-1,4-dihydroimidazol-5-one
CID 106952234

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one (CID 106952956) is 2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one is CCCC1N=C(CSC(C)CC)NC1=O.
What is the InChIKey of 2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one?
The InChIKey is VTPAXEIFFXDINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-6-9-11(14)13-10(12-9)7-15-8(3)5-2/h8-9H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of 2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one?
2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one has a molecular weight of 228.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylsulfanylmethyl)-4-propyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).