2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole

C61H76F3N7S3Si — CID 158962523

IUPAC2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole
SMILESCc1c(-c2ccccc2)sc(C(F)(F)F)c1C.Cc1c(-c2ccccc2)sc([Si](C)(C)C)c1C.Cc1cccn1C.Cc1ccnn1C.Cc1cncn1C.Cc1nccn1C.[2H]c1sc(-c2ccccc2)c(C)c1C
InChIInChI=1S/C15H20SSi.C13H11F3S.C12H12S.C6H9N.3C5H8N2/c1-11-12(2)15(17(3,4)5)16-14(11)13-9-7-6-8-10-13;1-8-9(2)12(13(14,15)16)17-11(8)10-6-4-3-5-7-10;1-9-8-13-12(10(9)2)11-6-4-3-5-7-11;1-6-4-3-5-7(6)2;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-5-3-4-6-7(5)2/h6-10H,1-5H3;3-7H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3/i;;8D;;;;
InChIKeyJMUJXARPQIEPJH-GHDCDKGWSA-N
MW1089.62 g/mol
LogP17.18
Rot. Bonds4

About 2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole

2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole (PubChem CID 158962523) has the molecular formula C61H76F3N7S3Si and a molecular weight of 1089.62 g/mol. Its IUPAC name is 2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole.

Molecular Properties

Compound Name2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole
PubChem CID158962523
Molecular FormulaC61H76F3N7S3Si
Molecular Weight1089.62 g/mol
Exact Mass1088.51
IUPAC Name2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole
SMILESCc1c(-c2ccccc2)sc(C(F)(F)F)c1C.Cc1c(-c2ccccc2)sc([Si](C)(C)C)c1C.Cc1cccn1C.Cc1ccnn1C.Cc1cncn1C.Cc1nccn1C.[2H]c1sc(-c2ccccc2)c(C)c1C
InChIInChI=1S/C15H20SSi.C13H11F3S.C12H12S.C6H9N.3C5H8N2/c1-11-12(2)15(17(3,4)5)16-14(11)13-9-7-6-8-10-13;1-8-9(2)12(13(14,15)16)17-11(8)10-6-4-3-5-7-10;1-9-8-13-12(10(9)2)11-6-4-3-5-7-11;1-6-4-3-5-7(6)2;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-5-3-4-6-7(5)2/h6-10H,1-5H3;3-7H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3/i;;8D;;;;
InChIKeyJMUJXARPQIEPJH-GHDCDKGWSA-N
XLogP17.18
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.62
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole with MolForge

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Related Compounds

N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2-propanamine
CID 45242368
6-[3-(4-fluorophenyl)-1-trityl-1H-4-pyrazolyl]-3-(2-thienyl)imidazo[1,2-a]pyridine
CID 22031006
6-[3-(4-Fluorophenyl)-1-trityl-1H-4-pyrazolyl]-3-[5-(methylsulfanyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 22031561
6-[3-(2,4-Difluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 22032479
6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-3-[5-(3-isocyanopropylsulfanyl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 23537394
6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 68811756
6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-thiophen-2-ylimidazo[1,2-a]pyridine
CID 68811907
6-[3-(4-Fluorophenyl)-1-tritylpyrazol-4-yl]-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazo[1,2-a]pyridine
CID 69157383
6-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-3-thiophen-3-ylimidazo[1,2-a]pyridine
CID 71017486
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(1-methyl-5-phenylimidazol-2-yl)methyl]-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
CID 86288250
3-(5-Butylsulfanylthiophen-2-yl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
CID 90811894
2-[6-Ethylsulfinyl-3-(1-methylpyrazol-4-yl)thieno[3,2-b]thiophen-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 142460902

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole?
The IUPAC name of 2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole (CID 158962523) is 2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole.
What is the SMILES notation for 2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole?
The canonical SMILES for 2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole is Cc1c(-c2ccccc2)sc(C(F)(F)F)c1C.Cc1c(-c2ccccc2)sc([Si](C)(C)C)c1C.Cc1cccn1C.Cc1ccnn1C.Cc1cncn1C.Cc1nccn1C.[2H]c1sc(-c2ccccc2)c(C)c1C.
What is the InChIKey of 2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole?
The InChIKey is JMUJXARPQIEPJH-GHDCDKGWSA-N. The full InChI is InChI=1S/C15H20SSi.C13H11F3S.C12H12S.C6H9N.3C5H8N2/c1-11-12(2)15(17(3,4)5)16-14(11)13-9-7-6-8-10-13;1-8-9(2)12(13(14,15)16)17-11(8)10-6-4-3-5-7-10;1-9-8-13-12(10(9)2)11-6-4-3-5-7-11;1-6-4-3-5-7(6)2;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-5-3-4-6-7(5)2/h6-10H,1-5H3;3-7H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3/i;;8D;;;;.
What are the key properties of 2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole?
2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole has a molecular weight of 1089.62 g/mol, XLogP of 17.18, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-3,4-dimethyl-5-phenylthiophene;1,2-dimethylimidazole;1,5-dimethylimidazole;(3,4-dimethyl-5-phenylthiophen-2-yl)-trimethylsilane;3,4-dimethyl-2-phenyl-5-(trifluoromethyl)thiophene;1,5-dimethylpyrazole;1,2-dimethylpyrrole is sourced from PubChem (CID 158962523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).