2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole

C10H18N2O2S — CID 141200495

IUPAC2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole
SMILESCCOC(CSc1ncc(C)[nH]1)OCC
InChIInChI=1S/C10H18N2O2S/c1-4-13-9(14-5-2)7-15-10-11-6-8(3)12-10/h6,9H,4-5,7H2,1-3H3,(H,11,12)
InChIKeyLVVNLKVFGSMHJF-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.21
Rot. Bonds7

About 2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole

2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole (PubChem CID 141200495) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole
PubChem CID141200495
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole
SMILESCCOC(CSc1ncc(C)[nH]1)OCC
InChIInChI=1S/C10H18N2O2S/c1-4-13-9(14-5-2)7-15-10-11-6-8(3)12-10/h6,9H,4-5,7H2,1-3H3,(H,11,12)
InChIKeyLVVNLKVFGSMHJF-UHFFFAOYSA-N
XLogP2.21
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(diethoxymethyl)-5-methyl-1H-imidazole
CID 20141788
2-ethylsulfanyl-5-methyl-1H-imidazole
CID 55288317
2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetic acid
CID 80129698
2-(1,1-dimethoxypropan-2-ylsulfanyl)-5-methyl-1H-imidazole
CID 141200498
ethane;2-ethenylsulfanyl-5-methyl-1H-imidazole
CID 143026592
ethyl (5-methyl-1H-imidazol-2-yl)sulfanylformate
CID 154344836
2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde
CID 173027618
S-(5-methyl-1H-imidazol-2-yl) ethanethioate
CID 24837922
2-butylsulfanyl-5-methyl-1H-imidazole
CID 45121011
5-ethyl-2-(3-methoxypropylsulfanyl)-1H-imidazole
CID 71917691
2-(2,2-diethoxyethylsulfanyl)-1H-imidazole
CID 84413416
ethyl (2S)-2-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]butanoate
CID 100634550

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole?
The IUPAC name of 2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole (CID 141200495) is 2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole?
The canonical SMILES for 2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole is CCOC(CSc1ncc(C)[nH]1)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole?
The InChIKey is LVVNLKVFGSMHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-4-13-9(14-5-2)7-15-10-11-6-8(3)12-10/h6,9H,4-5,7H2,1-3H3,(H,11,12).
What are the key properties of 2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole?
2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole has a molecular weight of 230.33 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 141200495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).