1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide

C120H198FN27O7S — CID 162086066

About 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide

1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide (PubChem CID 162086066) has the molecular formula C120H198FN27O7S and a molecular weight of 2182.15 g/mol. Its IUPAC name is 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide.

Molecular Properties

• Compound Name: 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide
• PubChem CID: 162086066
• Molecular Formula: C120H198FN27O7S
• Molecular Weight: 2182.15 g/mol
• Exact Mass: 2180.57
• IUPAC Name: 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide
• SMILES: CC.CC(=O)N1CCC(C)CC1.CC1(F)CCOCC1.CC1CCC(O)CC1.CC1CCN(C)CC1.CC1CCNCC1.CC1CCOCC1.CC1CCS(=O)(=O)CC1.Cc1ccccn1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1ccn(C)n1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cn(C)cn1.Cc1cn[nH]c1.Cc1cnc(C)[nH]1.Cc1cncn1C.Cc1cncnc1.Cc1cnn(C)c1.Cc1ncc[nH]1.Cc1ncccn1
• InChI: InChI=1S/C8H15NO.C7H9NO.C7H15N.C7H14O.C6H11FO.C6H13N.3C6H7N.C6H12O2S.C6H12O.3C5H8N2.C5H6N2.2C5H8N2.C5H6N2.3C4H6N2.C2H6/c1-7-3-5-9(6-4-7)8(2)10;1-6-3-4-8(2)7(9)5-6;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;1-6(7)2-4-8-5-3-6;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-2-4-9(7,8)5-3-6;1-6-2-4-7-5-3-6;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-3-6-7(2)4-5;1-5-2-6-4-7-3-5;1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;1-5-6-3-2-4-7-5;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-2/h7H,3-6H2,1-2H3;3-5H,1-2H3;7H,3-6H2,1-2H3;6-8H,2-5H2,1H3;2-5H2,1H3;6-7H,2-5H2,1H3;3*2-5H,1H3;6H,2-5H2,1H3;6H,2-5H2,1H3;3*3-4H,1-2H3;2-4H,1H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);2-4H,1H3;3*2-3H,1H3,(H,5,6);1-2H3
• InChIKey: ZCYXKGNRABATDM-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 406.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2182.15
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide?

The IUPAC name of 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide (CID 162086066) is 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide.

What is the SMILES notation for 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide?

The canonical SMILES for 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide is CC.CC(=O)N1CCC(C)CC1.CC1(F)CCOCC1.CC1CCC(O)CC1.CC1CCN(C)CC1.CC1CCNCC1.CC1CCOCC1.CC1CCS(=O)(=O)CC1.Cc1ccccn1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1ccn(C)n1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cn(C)cn1.Cc1cn[nH]c1.Cc1cnc(C)[nH]1.Cc1cncn1C.Cc1cncnc1.Cc1cnn(C)c1.Cc1ncc[nH]1.Cc1ncccn1.

What is the InChIKey of 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide?

The InChIKey is ZCYXKGNRABATDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C7H9NO.C7H15N.C7H14O.C6H11FO.C6H13N.3C6H7N.C6H12O2S.C6H12O.3C5H8N2.C5H6N2.2C5H8N2.C5H6N2.3C4H6N2.C2H6/c1-7-3-5-9(6-4-7)8(2)10;1-6-3-4-8(2)7(9)5-6;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;1-6(7)2-4-8-5-3-6;2*1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-6-2-4-9(7,8)5-3-6;1-6-2-4-7-5-3-6;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-3-6-7(2)4-5;1-5-2-6-4-7-3-5;1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;1-5-6-3-2-4-7-5;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-2/h7H,3-6H2,1-2H3;3-5H,1-2H3;7H,3-6H2,1-2H3;6-8H,2-5H2,1H3;2-5H2,1H3;6-7H,2-5H2,1H3;3*2-5H,1H3;6H,2-5H2,1H3;6H,2-5H2,1H3;3*3-4H,1-2H3;2-4H,1H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);2-4H,1H3;3*2-3H,1H3,(H,5,6);1-2H3.

What are the key properties of 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide?

1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide has a molecular weight of 2182.15 g/mol, XLogP of 22.52, 0 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-4-methyloxane;4-methylcyclohexan-1-ol;2-methyl-1H-imidazole;4-methyloxane;4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;5-methylpyrimidine;4-methylthiane 1,1-dioxide is sourced from PubChem (CID 162086066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).