1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole

C10H18N2S — CID 117192023

IUPAC1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole
SMILESCCn1cc(CSC(C)C)nc1C
InChIInChI=1S/C10H18N2S/c1-5-12-6-10(11-9(12)4)7-13-8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyQZRHNMJWGQAISF-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.85
Rot. Bonds4

About 1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole

1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole (PubChem CID 117192023) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole.

Molecular Properties

Compound Name1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole
PubChem CID117192023
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole
SMILESCCn1cc(CSC(C)C)nc1C
InChIInChI=1S/C10H18N2S/c1-5-12-6-10(11-9(12)4)7-13-8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyQZRHNMJWGQAISF-UHFFFAOYSA-N
XLogP2.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-2-methyl-4-(3-methylbutyl)imidazole
CID 175413043
1-ethyl-2-methyl-5-(propan-2-ylsulfanylmethyl)imidazole
CID 117193132
1-ethyl-2-methylimidazole-4-carbonitrile
CID 139989602
1,2,4-triethylimidazole
CID 24871662
1-ethyl-N-[(2S)-2-hydroxypropyl]-2-methylimidazole-4-sulfonamide
CID 83030926
4-chloro-6-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidine
CID 65134034
1,4-didecyl-2-methylimidazole;hydrobromide
CID 173322060
4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine
CID 117191016
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356
4-benzyl-1-dodecyl-2-methylimidazole
CID 174200825
N-(1-chloropropan-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 65030909
1-benzyl-4-ethyl-2-methylimidazole
CID 156528930

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole?
The IUPAC name of 1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole (CID 117192023) is 1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole.
What is the SMILES notation for 1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole?
The canonical SMILES for 1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole is CCn1cc(CSC(C)C)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole?
The InChIKey is QZRHNMJWGQAISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-5-12-6-10(11-9(12)4)7-13-8(2)3/h6,8H,5,7H2,1-4H3.
What are the key properties of 1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole?
1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole has a molecular weight of 198.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4-(propan-2-ylsulfanylmethyl)imidazole is sourced from PubChem (CID 117192023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).