1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone

C11H18N2OS — CID 65129636

IUPAC1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone
SMILESCCCSCC(=O)c1nccn1CCC
InChIInChI=1S/C11H18N2OS/c1-3-6-13-7-5-12-11(13)10(14)9-15-8-4-2/h5,7H,3-4,6,8-9H2,1-2H3
InChIKeyUCGZGPULADAQMF-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.62
Rot. Bonds7

About 1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone

1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone (PubChem CID 65129636) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone.

Molecular Properties

Compound Name1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone
PubChem CID65129636
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone
SMILESCCCSCC(=O)c1nccn1CCC
InChIInChI=1S/C11H18N2OS/c1-3-6-13-7-5-12-11(13)10(14)9-15-8-4-2/h5,7H,3-4,6,8-9H2,1-2H3
InChIKeyUCGZGPULADAQMF-UHFFFAOYSA-N
XLogP2.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100693
1-(1-propylimidazol-2-yl)pentan-1-one
CID 79404906
1-(1-propylimidazol-2-yl)heptan-1-one
CID 114972716
4-hydroxy-1-(1-propylimidazol-2-yl)butan-1-one
CID 106677480
2-methoxy-1-(1-propylimidazol-2-yl)ethanone
CID 63977312
3-(4-aminophenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 116605540
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone
CID 66144707
3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100680
2-ethoxy-2-methyl-1-(1-propylimidazol-2-yl)propan-1-one
CID 116710268
2-naphthalen-1-yl-1-(1-propylimidazol-2-yl)ethanone
CID 105100591
2-(4-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanone
CID 63977114

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone?
The IUPAC name of 1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone (CID 65129636) is 1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone.
What is the SMILES notation for 1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone?
The canonical SMILES for 1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone is CCCSCC(=O)c1nccn1CCC.
What is the InChIKey of 1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone?
The InChIKey is UCGZGPULADAQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-6-13-7-5-12-11(13)10(14)9-15-8-4-2/h5,7H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone?
1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone has a molecular weight of 226.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylimidazol-2-yl)-2-propylsulfanylethanone is sourced from PubChem (CID 65129636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).