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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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

C151H259F4N33O8S — CID 158315682

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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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 158315682) has the molecular formula C151H259F4N33O8S and a molecular weight of 2773.01 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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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: 158315682
• Molecular Formula: C151H259F4N33O8S
• Molecular Weight: 2773.01 g/mol
• Exact Mass: 2771.05
• 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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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)CCNCC1.CC1(F)CCNCC1.CC1(F)CCOCC1.CC1CCC(O)CC1.CC1CCN(C)CC1.CC1CCN(CCO)CC1.CC1CCNCC1.CC1CCOCC1.CC1CCS(=O)(=O)CC1.CN1CCC(C)(F)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.Cc1ncc[nH]1.Cc1ncccn1
• InChI: InChI=1S/C8H15NO.C8H17NO.C7H14FN.C7H9NO.C7H15N.C7H14O.2C6H12FN.C6H11FO.C6H13N.3C6H7N.C6H12O2S.C6H12O.3C5H8N2.C5H6N2.2C5H8N2.C5H6N2.4C4H6N2.C2H6/c1-7-3-5-9(6-4-7)8(2)10;1-8-2-4-9(5-3-8)6-7-10;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;3*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;2*1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-2/h7H,3-6H2,1-2H3;8,10H,2-7H2,1H3;3-6H2,1-2H3;3-5H,1-2H3;7H,3-6H2,1-2H3;6-8H,2-5H2,1H3;2*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;4*2-3H,1H3,(H,5,6);1-2H3
• InChIKey: GOFPULCKFBMFKZ-UHFFFAOYSA-N
• XLogP: 27.59
• TPSA: 486.09 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 2
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2773.01
LogP ≤ 5	27.59
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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 158315682) 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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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)CCNCC1.CC1(F)CCNCC1.CC1(F)CCOCC1.CC1CCC(O)CC1.CC1CCN(C)CC1.CC1CCN(CCO)CC1.CC1CCNCC1.CC1CCOCC1.CC1CCS(=O)(=O)CC1.CN1CCC(C)(F)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.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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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 GOFPULCKFBMFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C8H17NO.C7H14FN.C7H9NO.C7H15N.C7H14O.2C6H12FN.C6H11FO.C6H13N.3C6H7N.C6H12O2S.C6H12O.3C5H8N2.C5H6N2.2C5H8N2.C5H6N2.4C4H6N2.C2H6/c1-7-3-5-9(6-4-7)8(2)10;1-8-2-4-9(5-3-8)6-7-10;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;3*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;2*1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-2/h7H,3-6H2,1-2H3;8,10H,2-7H2,1H3;3-6H2,1-2H3;3-5H,1-2H3;7H,3-6H2,1-2H3;6-8H,2-5H2,1H3;2*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;4*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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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 2773.01 g/mol, XLogP of 27.59, 2 rotatable bonds, 10 hydrogen bond donors, and 35 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-1,4-dimethylpiperidine;4-fluoro-4-methyloxane;bis(4-fluoro-4-methylpiperidine);4-methylcyclohexan-1-ol;bis(2-methyl-1H-imidazole);4-methyloxane;4-methylpiperidine;2-(4-methylpiperidin-1-yl)ethanol;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 158315682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).