1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one

C150H211F3N28O19S3 — CID 159057667

IUPAC1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)Cc1cnc[nH]1.CC(C)(C)C(=O)Cn1cccn1.CC(C)(C)C(=O)c1ccc2cn[nH]c2c1.CC(C)(C)C(=O)c1ccc2nc[nH]c2c1.CC(C)(C)C(=O)c1ccc2ncsc2c1.CC(C)(C)C(=O)c1ccno1.CC(C)(C)C(=O)c1cn[nH]c1C(F)(F)F.CC(C)(C)C(=O)c1cnc[nH]1.CC(C)(C)C(=O)c1csnn1.CC(C)(C)C(=O)c1nncs1.CC(C)C(=O)Cn1ccnc1.CCn1nc(C)cc1C(=O)C(C)(C)C.Cc1nc(C(=O)C(C)(C)C)c(C)o1.Cc1oncc1C(=O)C(C)(C)C.Cn1ccc(C(=O)C(C)(C)C)n1.Cn1ccc(CC(=O)C(C)(C)C)n1
InChIInChI=1S/2C12H14N2O.C12H13NOS.C11H18N2O.C10H16N2O.C10H15NO2.C9H11F3N2O.3C9H14N2O.C9H13NO2.2C8H12N2O.C8H11NO2.2C7H10N2OS/c1-12(2,3)11(15)8-4-5-9-10(6-8)14-7-13-9;1-12(2,3)11(15)8-4-5-9-7-13-14-10(9)6-8;1-12(2,3)11(14)8-4-5-9-10(6-8)15-7-13-9;1-6-13-9(7-8(2)12-13)10(14)11(3,4)5;1-10(2,3)9(13)7-8-5-6-12(4)11-8;1-6-8(11-7(2)13-6)9(12)10(3,4)5;1-8(2,3)7(15)5-4-13-14-6(5)9(10,11)12;1-9(2,3)8(12)4-7-5-10-6-11-7;1-9(2,3)8(12)7-5-6-11(4)10-7;1-9(2,3)8(12)7-11-6-4-5-10-11;1-6-7(5-10-12-6)8(11)9(2,3)4;1-8(2,3)7(11)6-4-9-5-10-6;1-7(2)8(11)5-10-4-3-9-6-10;1-8(2,3)7(10)6-4-5-9-11-6;1-7(2,3)5(10)6-9-8-4-11-6;1-7(2,3)6(10)5-4-11-9-8-5/h2*4-7H,1-3H3,(H,13,14);4-7H,1-3H3;7H,6H2,1-5H3;5-6H,7H2,1-4H3;1-5H3;4H,1-3H3,(H,13,14);5-6H,4H2,1-3H3,(H,10,11);5-6H,1-4H3;4-6H,7H2,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,9,10);3-4,6-7H,5H2,1-2H3;4-5H,1-3H3;2*4H,1-3H3
InChIKeyJYBIVAHZERZYBK-UHFFFAOYSA-N
MW2863.71 g/mol
LogP33.41
Rot. Bonds22

About 1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one

1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one (PubChem CID 159057667) has the molecular formula C150H211F3N28O19S3 and a molecular weight of 2863.71 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one
PubChem CID159057667
Molecular FormulaC150H211F3N28O19S3
Molecular Weight2863.71 g/mol
Exact Mass2861.55
IUPAC Name1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)Cc1cnc[nH]1.CC(C)(C)C(=O)Cn1cccn1.CC(C)(C)C(=O)c1ccc2cn[nH]c2c1.CC(C)(C)C(=O)c1ccc2nc[nH]c2c1.CC(C)(C)C(=O)c1ccc2ncsc2c1.CC(C)(C)C(=O)c1ccno1.CC(C)(C)C(=O)c1cn[nH]c1C(F)(F)F.CC(C)(C)C(=O)c1cnc[nH]1.CC(C)(C)C(=O)c1csnn1.CC(C)(C)C(=O)c1nncs1.CC(C)C(=O)Cn1ccnc1.CCn1nc(C)cc1C(=O)C(C)(C)C.Cc1nc(C(=O)C(C)(C)C)c(C)o1.Cc1oncc1C(=O)C(C)(C)C.Cn1ccc(C(=O)C(C)(C)C)n1.Cn1ccc(CC(=O)C(C)(C)C)n1
InChIInChI=1S/2C12H14N2O.C12H13NOS.C11H18N2O.C10H16N2O.C10H15NO2.C9H11F3N2O.3C9H14N2O.C9H13NO2.2C8H12N2O.C8H11NO2.2C7H10N2OS/c1-12(2,3)11(15)8-4-5-9-10(6-8)14-7-13-9;1-12(2,3)11(15)8-4-5-9-7-13-14-10(9)6-8;1-12(2,3)11(14)8-4-5-9-10(6-8)15-7-13-9;1-6-13-9(7-8(2)12-13)10(14)11(3,4)5;1-10(2,3)9(13)7-8-5-6-12(4)11-8;1-6-8(11-7(2)13-6)9(12)10(3,4)5;1-8(2,3)7(15)5-4-13-14-6(5)9(10,11)12;1-9(2,3)8(12)4-7-5-10-6-11-7;1-9(2,3)8(12)7-5-6-11(4)10-7;1-9(2,3)8(12)7-11-6-4-5-10-11;1-6-7(5-10-12-6)8(11)9(2,3)4;1-8(2,3)7(11)6-4-9-5-10-6;1-7(2)8(11)5-10-4-3-9-6-10;1-8(2,3)7(10)6-4-5-9-11-6;1-7(2,3)5(10)6-9-8-4-11-6;1-7(2,3)6(10)5-4-11-9-8-5/h2*4-7H,1-3H3,(H,13,14);4-7H,1-3H3;7H,6H2,1-5H3;5-6H,7H2,1-4H3;1-5H3;4H,1-3H3,(H,13,14);5-6H,4H2,1-3H3,(H,10,11);5-6H,1-4H3;4-6H,7H2,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,9,10);3-4,6-7H,5H2,1-2H3;4-5H,1-3H3;2*4H,1-3H3
InChIKeyJYBIVAHZERZYBK-UHFFFAOYSA-N
XLogP33.41
TPSA648.16 Ų
H-Bond Donors5
H-Bond Acceptors45
Rotatable Bonds22
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002863.71
LogP ≤ 533.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1045

Analyze 1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one (CID 159057667) is 1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)Cc1cnc[nH]1.CC(C)(C)C(=O)Cn1cccn1.CC(C)(C)C(=O)c1ccc2cn[nH]c2c1.CC(C)(C)C(=O)c1ccc2nc[nH]c2c1.CC(C)(C)C(=O)c1ccc2ncsc2c1.CC(C)(C)C(=O)c1ccno1.CC(C)(C)C(=O)c1cn[nH]c1C(F)(F)F.CC(C)(C)C(=O)c1cnc[nH]1.CC(C)(C)C(=O)c1csnn1.CC(C)(C)C(=O)c1nncs1.CC(C)C(=O)Cn1ccnc1.CCn1nc(C)cc1C(=O)C(C)(C)C.Cc1nc(C(=O)C(C)(C)C)c(C)o1.Cc1oncc1C(=O)C(C)(C)C.Cn1ccc(C(=O)C(C)(C)C)n1.Cn1ccc(CC(=O)C(C)(C)C)n1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one?
The InChIKey is JYBIVAHZERZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H14N2O.C12H13NOS.C11H18N2O.C10H16N2O.C10H15NO2.C9H11F3N2O.3C9H14N2O.C9H13NO2.2C8H12N2O.C8H11NO2.2C7H10N2OS/c1-12(2,3)11(15)8-4-5-9-10(6-8)14-7-13-9;1-12(2,3)11(15)8-4-5-9-7-13-14-10(9)6-8;1-12(2,3)11(14)8-4-5-9-10(6-8)15-7-13-9;1-6-13-9(7-8(2)12-13)10(14)11(3,4)5;1-10(2,3)9(13)7-8-5-6-12(4)11-8;1-6-8(11-7(2)13-6)9(12)10(3,4)5;1-8(2,3)7(15)5-4-13-14-6(5)9(10,11)12;1-9(2,3)8(12)4-7-5-10-6-11-7;1-9(2,3)8(12)7-5-6-11(4)10-7;1-9(2,3)8(12)7-11-6-4-5-10-11;1-6-7(5-10-12-6)8(11)9(2,3)4;1-8(2,3)7(11)6-4-9-5-10-6;1-7(2)8(11)5-10-4-3-9-6-10;1-8(2,3)7(10)6-4-5-9-11-6;1-7(2,3)5(10)6-9-8-4-11-6;1-7(2,3)6(10)5-4-11-9-8-5/h2*4-7H,1-3H3,(H,13,14);4-7H,1-3H3;7H,6H2,1-5H3;5-6H,7H2,1-4H3;1-5H3;4H,1-3H3,(H,13,14);5-6H,4H2,1-3H3,(H,10,11);5-6H,1-4H3;4-6H,7H2,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,9,10);3-4,6-7H,5H2,1-2H3;4-5H,1-3H3;2*4H,1-3H3.
What are the key properties of 1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one?
1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one has a molecular weight of 2863.71 g/mol, XLogP of 33.41, 22 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-2,2-dimethylpropan-1-one;1-(1,3-benzothiazol-6-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one;3,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-one;2,2-dimethyl-1-(1-methylpyrazol-3-yl)propan-1-one;1-(2,5-dimethyl-1,3-oxazol-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(1,2-oxazol-5-yl)propan-1-one;3,3-dimethyl-1-pyrazol-1-ylbutan-2-one;2,2-dimethyl-1-(1,3,4-thiadiazol-2-yl)propan-1-one;2,2-dimethyl-1-(thiadiazol-4-yl)propan-1-one;2,2-dimethyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-one;1-(2-ethyl-5-methylpyrazol-3-yl)-2,2-dimethylpropan-1-one;1-(1H-imidazol-5-yl)-3,3-dimethylbutan-2-one;1-(1H-imidazol-5-yl)-2,2-dimethylpropan-1-one;1-imidazol-1-yl-3-methylbutan-2-one;1-(1H-indazol-6-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 159057667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).