4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one

C10H18N2OS — CID 106953305

IUPAC4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one
SMILESCC(C)CSCC1=NC(C)(C)C(=O)N1
InChIInChI=1S/C10H18N2OS/c1-7(2)5-14-6-8-11-9(13)10(3,4)12-8/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyXLYHPRIRUHGSAC-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.68
Rot. Bonds4

About 4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one

4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one (PubChem CID 106953305) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one
PubChem CID106953305
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one
SMILESCC(C)CSCC1=NC(C)(C)C(=O)N1
InChIInChI=1S/C10H18N2OS/c1-7(2)5-14-6-8-11-9(13)10(3,4)12-8/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyXLYHPRIRUHGSAC-UHFFFAOYSA-N
XLogP1.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one?
The IUPAC name of 4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one (CID 106953305) is 4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one.
What is the SMILES notation for 4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one?
The canonical SMILES for 4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one is CC(C)CSCC1=NC(C)(C)C(=O)N1.
What is the InChIKey of 4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one?
The InChIKey is XLYHPRIRUHGSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(2)5-14-6-8-11-9(13)10(3,4)12-8/h7H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of 4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one?
4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one has a molecular weight of 214.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-imidazol-5-one is sourced from PubChem (CID 106953305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).