2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole

C23H28N2S2 — CID 18934857

IUPAC2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole
SMILESCCc1ccccc1CSC1=NC(C)(C)C(SCc2ccccc2CC)=N1
InChIInChI=1S/C23H28N2S2/c1-5-17-11-7-9-13-19(17)15-26-21-23(3,4)25-22(24-21)27-16-20-14-10-8-12-18(20)6-2/h7-14H,5-6,15-16H2,1-4H3
InChIKeyCTGRFVGDXIIPFX-UHFFFAOYSA-N
MW396.63 g/mol
LogP6.52
Rot. Bonds6

About 2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole

2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole (PubChem CID 18934857) has the molecular formula C23H28N2S2 and a molecular weight of 396.63 g/mol. Its IUPAC name is 2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole.

Molecular Properties

Compound Name2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole
PubChem CID18934857
Molecular FormulaC23H28N2S2
Molecular Weight396.63 g/mol
Exact Mass396.17
IUPAC Name2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole
SMILESCCc1ccccc1CSC1=NC(C)(C)C(SCc2ccccc2CC)=N1
InChIInChI=1S/C23H28N2S2/c1-5-17-11-7-9-13-19(17)15-26-21-23(3,4)25-22(24-21)27-16-20-14-10-8-12-18(20)6-2/h7-14H,5-6,15-16H2,1-4H3
InChIKeyCTGRFVGDXIIPFX-UHFFFAOYSA-N
XLogP6.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.63
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-3-[[2-[[2-(dimethylamino)-5-hydroxyphenyl]methylsulfanyl]-5,5-dimethylimidazol-4-yl]sulfanylmethyl]phenol
CID 18934829
1,2-diethylbenzene;hydrobromide
CID 174973685
carbonic acid;1,2-diethylbenzene
CID 89388803
1,2-diethylbenzene;propa-1,2-diene
CID 174831347
1,2-diethylbenzene;silyloxysilane
CID 158803052
2-[(2-ethylphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 2810516
1-(chloromethyl)-2-ethylbenzene
CID 524243
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
1,2-diethylbenzene;formamide
CID 157370947
1,2-diethylbenzene;propanal
CID 174478177
N-[(2-ethylphenyl)methyl]methanimine
CID 126763351
4,4-dimethyl-2-[[2-(methylamino)phenyl]methylsulfanyl]-1H-imidazole-5-thione
CID 18934839

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole?
The IUPAC name of 2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole (CID 18934857) is 2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole.
What is the SMILES notation for 2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole?
The canonical SMILES for 2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole is CCc1ccccc1CSC1=NC(C)(C)C(SCc2ccccc2CC)=N1.
What is the InChIKey of 2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole?
The InChIKey is CTGRFVGDXIIPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2S2/c1-5-17-11-7-9-13-19(17)15-26-21-23(3,4)25-22(24-21)27-16-20-14-10-8-12-18(20)6-2/h7-14H,5-6,15-16H2,1-4H3.
What are the key properties of 2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole?
2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole has a molecular weight of 396.63 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(2-ethylphenyl)methylsulfanyl]-4,4-dimethylimidazole is sourced from PubChem (CID 18934857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).