About 1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene
1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene (PubChem CID 157123910) has the molecular formula C274H413FN28O3S2
and a molecular weight of 4230.64 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene.
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Frequently Asked Questions
What is the IUPAC name of 1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene?
The IUPAC name of 1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene (CID 157123910) is 1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene.
What is the SMILES notation for 1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene?
The canonical SMILES for 1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1.CF.CN(C)C.CN(C)c1ncccn1.CNC(C)=O.CS(N)(=O)=O.Cc1ccccc1.Cc1ccccc1.Cn1ccc2ccccc21.Cn1cccn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1cncnc1.
What is the InChIKey of 1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene?
The InChIKey is AIHIYEIMVUVGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.3C9H7N.8C9H12.C8H6S.2C7H6N2.2C7H8.C6H9N3.10C5H5N.C4H6N2.C4H4N2.7C4H10.C3H7NO.C3H9N.15C2H6.CH3F.CH5NO2S/c1-10-7-6-8-4-2-3-5-9(8)10;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;8*1-8(2)9-6-4-3-5-7-9;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;2*1-7-5-3-2-4-6-7;1-9(2)6-7-4-3-5-8-6;10*1-2-4-6-5-3-1;1-6-4-2-3-5-6;1-2-5-4-6-3-1;7*1-4(2)3;1-3(5)4-2;1-4(2)3;16*1-2;1-5(2,3)4/h2-7H,1H3;3*1-7H;8*3-8H,1-2H3;1-6H;2*1-5H,(H,8,9);2*2-6H,1H3;3-5H,1-2H3;10*1-5H;2-4H,1H3;1-4H;7*4H,1-3H3;1-2H3,(H,4,5);1-3H3;15*1-2H3;1H3;1H3,(H2,2,3,4).
What are the key properties of 1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene?
1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene has a molecular weight of 4230.64 g/mol, XLogP of 80.08, 9 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzothiophene;cumene;N,N-dimethylmethanamine;N,N-dimethylpyrimidin-2-amine;ethane;fluoromethane;1H-indazole;isoquinoline;methanesulfonamide;N-methylacetamide;1-methylindole;heptakis(2-methylpropane);1-methylpyrazole;decakis(pyridine);pyrimidine;quinoline;toluene is sourced from PubChem (CID 157123910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).