2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide

C13H22N4O2S — CID 18146970

IUPAC2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCCCCn1c(SCC(=O)NC(=O)NC)nc(C)c1C
InChIInChI=1S/C13H22N4O2S/c1-5-6-7-17-10(3)9(2)15-13(17)20-8-11(18)16-12(19)14-4/h5-8H2,1-4H3,(H2,14,16,18,19)
InChIKeyGLVJITLESDJIHV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.85
Rot. Bonds6

About 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide (PubChem CID 18146970) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
PubChem CID18146970
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
SMILESCCCCn1c(SCC(=O)NC(=O)NC)nc(C)c1C
InChIInChI=1S/C13H22N4O2S/c1-5-6-7-17-10(3)9(2)15-13(17)20-8-11(18)16-12(19)14-4/h5-8H2,1-4H3,(H2,14,16,18,19)
InChIKeyGLVJITLESDJIHV-UHFFFAOYSA-N
XLogP1.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-carbamoylacetamide
CID 25405496
N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide
CID 31038895
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 46540785
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 18278347
2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 93255820
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 22831107
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide
CID 55538278
N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
CID 36835611
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 46510892
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31038790
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 51330187
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 36836569

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide (CID 18146970) is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide is CCCCn1c(SCC(=O)NC(=O)NC)nc(C)c1C.
What is the InChIKey of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
The InChIKey is GLVJITLESDJIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-5-6-7-17-10(3)9(2)15-13(17)20-8-11(18)16-12(19)14-4/h5-8H2,1-4H3,(H2,14,16,18,19).
What are the key properties of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide?
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 18146970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).