2-ethylsulfanyl-1-(3-methylphenyl)imidazole

C12H14N2S — CID 52557983

IUPAC2-ethylsulfanyl-1-(3-methylphenyl)imidazole
SMILESCCSc1nccn1-c1cccc(C)c1
InChIInChI=1S/C12H14N2S/c1-3-15-12-13-7-8-14(12)11-6-4-5-10(2)9-11/h4-9H,3H2,1-2H3
InChIKeyBUJZMNHWFMLBAG-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.29
Rot. Bonds3

About 2-ethylsulfanyl-1-(3-methylphenyl)imidazole

2-ethylsulfanyl-1-(3-methylphenyl)imidazole (PubChem CID 52557983) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(3-methylphenyl)imidazole.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(3-methylphenyl)imidazole
PubChem CID52557983
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2-ethylsulfanyl-1-(3-methylphenyl)imidazole
SMILESCCSc1nccn1-c1cccc(C)c1
InChIInChI=1S/C12H14N2S/c1-3-15-12-13-7-8-14(12)11-6-4-5-10(2)9-11/h4-9H,3H2,1-2H3
InChIKeyBUJZMNHWFMLBAG-UHFFFAOYSA-N
XLogP3.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpentylsulfanyl)-1-(3-methylphenyl)imidazole
CID 129255839
(2R)-1-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-3-pyrazol-1-ylpropan-2-ol
CID 99773691
3-methyl-5-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 46540725
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507
1-(2-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33298554
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
N,N-bis(2-cyanoethyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 46806811
N-[2-(4-ethoxyphenoxy)ethyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40670318
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40665623
4-methoxy-3-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]benzaldehyde
CID 46479695
[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea
CID 33298924
1-[4-[2-hydroxy-3-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropoxy]phenyl]propan-1-one
CID 24579904

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(3-methylphenyl)imidazole?
The IUPAC name of 2-ethylsulfanyl-1-(3-methylphenyl)imidazole (CID 52557983) is 2-ethylsulfanyl-1-(3-methylphenyl)imidazole.
What is the SMILES notation for 2-ethylsulfanyl-1-(3-methylphenyl)imidazole?
The canonical SMILES for 2-ethylsulfanyl-1-(3-methylphenyl)imidazole is CCSc1nccn1-c1cccc(C)c1.
What is the InChIKey of 2-ethylsulfanyl-1-(3-methylphenyl)imidazole?
The InChIKey is BUJZMNHWFMLBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-3-15-12-13-7-8-14(12)11-6-4-5-10(2)9-11/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-(3-methylphenyl)imidazole?
2-ethylsulfanyl-1-(3-methylphenyl)imidazole has a molecular weight of 218.32 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(3-methylphenyl)imidazole is sourced from PubChem (CID 52557983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).