2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole

C22H22N2S — CID 159306749

IUPAC2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole
SMILESCc1cc(C)c(-n2ccnc2-c2cccc3c(C)c(C)sc23)c(C)c1
InChIInChI=1S/C22H22N2S/c1-13-11-14(2)20(15(3)12-13)24-10-9-23-22(24)19-8-6-7-18-16(4)17(5)25-21(18)19/h6-12H,1-5H3
InChIKeyVYZCZOZLUKICRI-UHFFFAOYSA-N
MW346.50 g/mol
LogP6.30
Rot. Bonds2

About 2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole

2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole (PubChem CID 159306749) has the molecular formula C22H22N2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

Compound Name2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole
PubChem CID159306749
Molecular FormulaC22H22N2S
Molecular Weight346.50 g/mol
Exact Mass346.15
IUPAC Name2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole
SMILESCc1cc(C)c(-n2ccnc2-c2cccc3c(C)c(C)sc23)c(C)c1
InChIInChI=1S/C22H22N2S/c1-13-11-14(2)20(15(3)12-13)24-10-9-23-22(24)19-8-6-7-18-16(4)17(5)25-21(18)19/h6-12H,1-5H3
InChIKeyVYZCZOZLUKICRI-UHFFFAOYSA-N
XLogP6.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,3-dimethyl-1-benzothiophen-7-yl)imidazol-1-yl]-5-methylpyrimidine
CID 159217873
2-[2-(2-methylbutan-2-yl)phenyl]-1-(2,4,6-trimethylphenyl)imidazole
CID 143943961
1-(4-methyl-2,6-diphenylphenyl)-2-(2-methylphenyl)imidazole
CID 58750814
iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 58947288
2-(1H-imidazol-2-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 140703360
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
lithium 1-(2,4,6-trimethylphenyl)imidazole-2-selenolate
CID 102492610
N-fluoro-N-methyl-2-[9-(2,4,6-trimethylphenyl)-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]butan-2-amine
CID 144725386
4-[1-(2,6-dimethylphenyl)imidazol-2-yl]-3-methylbenzonitrile
CID 170293555
iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
CID 59171953
14-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5,13-dimethyl-8,16-dithia-6-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10(15),11,13-heptaene
CID 170120044
2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)imidazole
CID 163593022

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole?
The IUPAC name of 2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole (CID 159306749) is 2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole.
What is the SMILES notation for 2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole?
The canonical SMILES for 2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole is Cc1cc(C)c(-n2ccnc2-c2cccc3c(C)c(C)sc23)c(C)c1.
What is the InChIKey of 2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole?
The InChIKey is VYZCZOZLUKICRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2S/c1-13-11-14(2)20(15(3)12-13)24-10-9-23-22(24)19-8-6-7-18-16(4)17(5)25-21(18)19/h6-12H,1-5H3.
What are the key properties of 2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole?
2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 346.50 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1-benzothiophen-7-yl)-1-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 159306749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).