2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole

C10H18N2S — CID 58658807

IUPAC2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole
SMILESCCc1nc(C(C)C)c(SC)n1C
InChIInChI=1S/C10H18N2S/c1-6-8-11-9(7(2)3)10(13-5)12(8)4/h7H,6H2,1-5H3
InChIKeyMTMFRKNWJKHTMJ-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.83
Rot. Bonds3

About 2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole

2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole (PubChem CID 58658807) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole
PubChem CID58658807
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole
SMILESCCc1nc(C(C)C)c(SC)n1C
InChIInChI=1S/C10H18N2S/c1-6-8-11-9(7(2)3)10(13-5)12(8)4/h7H,6H2,1-5H3
InChIKeyMTMFRKNWJKHTMJ-UHFFFAOYSA-N
XLogP2.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine
CID 89018232
2,4,5-triethyl-1-methylimidazole
CID 141155597
2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine
CID 70837931
[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methylurea
CID 21147125
2-(2-azidoethyl)-5-(3,5-difluorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazole
CID 140978454
[5-(3-chlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine;hydrochloride
CID 22130251
3-ethyl-1-propan-2-ylimidazo[1,5-a]pyridine
CID 171543739
5-ethyl-1-methyl-3-propan-2-yl-1,2,4-triazole
CID 139572411
2-(2-azidoethyl)-5-(3-fluorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazole
CID 140978530
methyl 3-(1-methyl-5-phenylsulfanyl-4-propan-2-ylimidazol-2-yl)propanoate
CID 70000480
3,5-diethyl-4-methyl-1,2,4-triazole
CID 59273822
2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]acetaldehyde
CID 54509160

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole?
The IUPAC name of 2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole (CID 58658807) is 2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole.
What is the SMILES notation for 2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole?
The canonical SMILES for 2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole is CCc1nc(C(C)C)c(SC)n1C.
What is the InChIKey of 2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole?
The InChIKey is MTMFRKNWJKHTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-6-8-11-9(7(2)3)10(13-5)12(8)4/h7H,6H2,1-5H3.
What are the key properties of 2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole?
2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole has a molecular weight of 198.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-5-methylsulfanyl-4-propan-2-ylimidazole is sourced from PubChem (CID 58658807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).