1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol

C13H24N2OS — CID 111111670

IUPAC1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol
SMILESCCCCn1c(SCC(C)(C)O)nc(C)c1C
InChIInChI=1S/C13H24N2OS/c1-6-7-8-15-11(3)10(2)14-12(15)17-9-13(4,5)16/h16H,6-9H2,1-5H3
InChIKeyVRNHVCBNEKHHQC-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.16
Rot. Bonds6

About 1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol

1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol (PubChem CID 111111670) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol
PubChem CID111111670
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol
SMILESCCCCn1c(SCC(C)(C)O)nc(C)c1C
InChIInChI=1S/C13H24N2OS/c1-6-7-8-15-11(3)10(2)14-12(15)17-9-13(4,5)16/h16H,6-9H2,1-5H3
InChIKeyVRNHVCBNEKHHQC-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-carbamoylacetamide
CID 25405496
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 18146970
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-(3,4-dimethylphenyl)acetamide
CID 18278347
6-amino-5-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 36835630
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-phenylcyclopropyl)methyl]acetamide
CID 36836569
N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide
CID 31038895
methyl 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylate
CID 55516956
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55530981
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol?
The IUPAC name of 1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol (CID 111111670) is 1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol is CCCCn1c(SCC(C)(C)O)nc(C)c1C.
What is the InChIKey of 1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol?
The InChIKey is VRNHVCBNEKHHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-7-8-15-11(3)10(2)14-12(15)17-9-13(4,5)16/h16H,6-9H2,1-5H3.
What are the key properties of 1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol?
1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol has a molecular weight of 256.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol is sourced from PubChem (CID 111111670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).