1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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

C127H213F2N28O7S+ — CID 157426632

About 1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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 157426632) has the molecular formula C127H213F2N28O7S+ and a molecular weight of 2314.35 g/mol. Its IUPAC name is 1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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: 157426632
• Molecular Formula: C127H213F2N28O7S+
• Molecular Weight: 2314.35 g/mol
• Exact Mass: 2312.69
• IUPAC Name: 1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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.CN1CCC(C)(F)CC1.Cc1c[nH]c[n+]1C.Cc1ccccn1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1ccn(C)n1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cn(C)cn1.Cc1cn[nH]c1.Cc1cnc(C)[nH]1.Cc1cncnc1.Cc1cnn(C)c1.Cc1ncc[nH]1.Cc1ncccn1
• InChI: InChI=1S/C8H15NO.C7H14FN.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;1-7(8)3-5-9(2)6-4-7;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;3-6H2,1-2H3;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/p+1
• InChIKey: PWWIVZZKSLJRHE-UHFFFAOYSA-O
• XLogP: 23.38
• TPSA: 411.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2314.35
LogP ≤ 5	23.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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 157426632) is 1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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.CN1CCC(C)(F)CC1.Cc1c[nH]c[n+]1C.Cc1ccccn1.Cc1cccnc1.Cc1ccn(C)c(=O)c1.Cc1ccn(C)n1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cn(C)cn1.Cc1cn[nH]c1.Cc1cnc(C)[nH]1.Cc1cncnc1.Cc1cnn(C)c1.Cc1ncc[nH]1.Cc1ncccn1.

What is the InChIKey of 1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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 PWWIVZZKSLJRHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO.C7H14FN.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;1-7(8)3-5-9(2)6-4-7;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;3-6H2,1-2H3;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/p+1.

What are the key properties of 1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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 2314.35 g/mol, XLogP of 23.38, 0 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;3,4-dimethyl-1H-imidazol-3-ium;1,4-dimethylpiperidine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethylpyridin-2-one;ethane;4-fluoro-1,4-dimethylpiperidine;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 157426632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).