1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one

C157H186F8N14O25S2 — CID 158806316

IUPAC1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)C(=O)Cc1ccc(-c2ccc(F)cc2)cc1C(=O)O.CC(C)C(=O)Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1C(=O)O.CC(C)C(=O)Cc1ccc(-c2ccccc2)cc1C(=O)O.CC(C)C(=O)Cc1ccccc1C(=O)O.CC(C)C(=O)c1cc(C(F)(F)F)n(C)n1.CC(C)C(=O)c1cc(C(F)(F)F)nn1C.CC(C)C(=O)c1ccco1.CC(C)C(=O)c1cn(Cc2ccccc2)cn1.CC(C)C(=O)c1cnc[nH]1.CC(C)C(=O)c1cncn1C.CC(C)C(=O)c1nccs1.CC(C)c1ncc(F)cn1.CC1C=NC(C(=O)C(C)C)=C1.COc1ccccc1CC(=O)C(C)C
InChIInChI=1S/C19H20O5S.C18H17FO3.C18H18O3.C14H16N2O.C12H14O3.C12H16O2.2C9H11F3N2O.C9H13NO.C8H12N2O.C8H10O2.C7H9FN2.C7H10N2O.C7H9NOS/c1-12(2)18(20)11-15-5-4-14(10-17(15)19(21)22)13-6-8-16(9-7-13)25(3,23)24;1-11(2)17(20)10-14-4-3-13(9-16(14)18(21)22)12-5-7-15(19)8-6-12;1-12(2)17(19)11-15-9-8-14(10-16(15)18(20)21)13-6-4-3-5-7-13;1-11(2)14(17)13-9-16(10-15-13)8-12-6-4-3-5-7-12;1-8(2)11(13)7-9-5-3-4-6-10(9)12(14)15;1-9(2)11(13)8-10-6-4-5-7-12(10)14-3;1-5(2)8(15)6-4-7(9(10,11)12)13-14(6)3;1-5(2)8(15)6-4-7(9(10,11)12)14(3)13-6;1-6(2)9(11)8-4-7(3)5-10-8;1-6(2)8(11)7-4-9-5-10(7)3;1-6(2)8(9)7-4-3-5-10-7;1-5(2)7-9-3-6(8)4-10-7;1-5(2)7(10)6-3-8-4-9-6;1-5(2)6(9)7-8-3-4-10-7/h4-10,12H,11H2,1-3H3,(H,21,22);3-9,11H,10H2,1-2H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,20,21);3-7,9-11H,8H2,1-2H3;3-6,8H,7H2,1-2H3,(H,14,15);4-7,9H,8H2,1-3H3;2*4-5H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,8,9);3-5H,1-2H3
InChIKeyIUCSWXFBOZTRBL-UHFFFAOYSA-N
MW2885.41 g/mol
LogP33.10
Rot. Bonds43

About 1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one

1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 158806316) has the molecular formula C157H186F8N14O25S2 and a molecular weight of 2885.41 g/mol. Its IUPAC name is 1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one
PubChem CID158806316
Molecular FormulaC157H186F8N14O25S2
Molecular Weight2885.41 g/mol
Exact Mass2883.30
IUPAC Name1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)C(=O)Cc1ccc(-c2ccc(F)cc2)cc1C(=O)O.CC(C)C(=O)Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1C(=O)O.CC(C)C(=O)Cc1ccc(-c2ccccc2)cc1C(=O)O.CC(C)C(=O)Cc1ccccc1C(=O)O.CC(C)C(=O)c1cc(C(F)(F)F)n(C)n1.CC(C)C(=O)c1cc(C(F)(F)F)nn1C.CC(C)C(=O)c1ccco1.CC(C)C(=O)c1cn(Cc2ccccc2)cn1.CC(C)C(=O)c1cnc[nH]1.CC(C)C(=O)c1cncn1C.CC(C)C(=O)c1nccs1.CC(C)c1ncc(F)cn1.CC1C=NC(C(=O)C(C)C)=C1.COc1ccccc1CC(=O)C(C)C
InChIInChI=1S/C19H20O5S.C18H17FO3.C18H18O3.C14H16N2O.C12H14O3.C12H16O2.2C9H11F3N2O.C9H13NO.C8H12N2O.C8H10O2.C7H9FN2.C7H10N2O.C7H9NOS/c1-12(2)18(20)11-15-5-4-14(10-17(15)19(21)22)13-6-8-16(9-7-13)25(3,23)24;1-11(2)17(20)10-14-4-3-13(9-16(14)18(21)22)12-5-7-15(19)8-6-12;1-12(2)17(19)11-15-9-8-14(10-16(15)18(20)21)13-6-4-3-5-7-13;1-11(2)14(17)13-9-16(10-15-13)8-12-6-4-3-5-7-12;1-8(2)11(13)7-9-5-3-4-6-10(9)12(14)15;1-9(2)11(13)8-10-6-4-5-7-12(10)14-3;1-5(2)8(15)6-4-7(9(10,11)12)13-14(6)3;1-5(2)8(15)6-4-7(9(10,11)12)14(3)13-6;1-6(2)9(11)8-4-7(3)5-10-8;1-6(2)8(11)7-4-9-5-10(7)3;1-6(2)8(9)7-4-3-5-10-7;1-5(2)7-9-3-6(8)4-10-7;1-5(2)7(10)6-3-8-4-9-6;1-5(2)6(9)7-8-3-4-10-7/h4-10,12H,11H2,1-3H3,(H,21,22);3-9,11H,10H2,1-2H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,20,21);3-7,9-11H,8H2,1-2H3;3-6,8H,7H2,1-2H3,(H,14,15);4-7,9H,8H2,1-3H3;2*4-5H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,8,9);3-5H,1-2H3
InChIKeyIUCSWXFBOZTRBL-UHFFFAOYSA-N
XLogP33.10
TPSA578.61 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds43
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002885.41
LogP ≤ 533.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze 1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-one;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;bis(2-(3-methyl-2-oxobutyl)-5-(4-methylphenyl)benzoic acid);2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one
CID 161326914
1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;1-(5-chloro-2-methylphenyl)-3-methylbutan-2-one;1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-1-one;1-(2,5-dimethylpyrazol-3-yl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;methane;methyl 4-chloro-2-(3-methyl-2-oxobutyl)benzoate;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;bis(3-methyl-1-(2-methylphenyl)butan-2-one);bis(2-(3-methyl-2-oxobutyl)-5-(4-methylphenyl)benzoic acid);2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;5-methyl-2-propan-2-ylpyrimidine;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one
CID 159437621
1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-one;1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-1-one;1-(2,5-dimethylpyrazol-3-yl)-2-methylpropan-1-one;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;bis(2-(3-methyl-2-oxobutyl)-5-(4-methylphenyl)benzoic acid);2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;5-methyl-2-propan-2-ylpyrimidine;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one
CID 160001078

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one (CID 158806316) is 1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one is CC(C)C(=O)Cc1ccc(-c2ccc(F)cc2)cc1C(=O)O.CC(C)C(=O)Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1C(=O)O.CC(C)C(=O)Cc1ccc(-c2ccccc2)cc1C(=O)O.CC(C)C(=O)Cc1ccccc1C(=O)O.CC(C)C(=O)c1cc(C(F)(F)F)n(C)n1.CC(C)C(=O)c1cc(C(F)(F)F)nn1C.CC(C)C(=O)c1ccco1.CC(C)C(=O)c1cn(Cc2ccccc2)cn1.CC(C)C(=O)c1cnc[nH]1.CC(C)C(=O)c1cncn1C.CC(C)C(=O)c1nccs1.CC(C)c1ncc(F)cn1.CC1C=NC(C(=O)C(C)C)=C1.COc1ccccc1CC(=O)C(C)C.
What is the InChIKey of 1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is IUCSWXFBOZTRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5S.C18H17FO3.C18H18O3.C14H16N2O.C12H14O3.C12H16O2.2C9H11F3N2O.C9H13NO.C8H12N2O.C8H10O2.C7H9FN2.C7H10N2O.C7H9NOS/c1-12(2)18(20)11-15-5-4-14(10-17(15)19(21)22)13-6-8-16(9-7-13)25(3,23)24;1-11(2)17(20)10-14-4-3-13(9-16(14)18(21)22)12-5-7-15(19)8-6-12;1-12(2)17(19)11-15-9-8-14(10-16(15)18(20)21)13-6-4-3-5-7-13;1-11(2)14(17)13-9-16(10-15-13)8-12-6-4-3-5-7-12;1-8(2)11(13)7-9-5-3-4-6-10(9)12(14)15;1-9(2)11(13)8-10-6-4-5-7-12(10)14-3;1-5(2)8(15)6-4-7(9(10,11)12)13-14(6)3;1-5(2)8(15)6-4-7(9(10,11)12)14(3)13-6;1-6(2)9(11)8-4-7(3)5-10-8;1-6(2)8(11)7-4-9-5-10(7)3;1-6(2)8(9)7-4-3-5-10-7;1-5(2)7-9-3-6(8)4-10-7;1-5(2)7(10)6-3-8-4-9-6;1-5(2)6(9)7-8-3-4-10-7/h4-10,12H,11H2,1-3H3,(H,21,22);3-9,11H,10H2,1-2H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,20,21);3-7,9-11H,8H2,1-2H3;3-6,8H,7H2,1-2H3,(H,14,15);4-7,9H,8H2,1-3H3;2*4-5H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H,8,9);3-5H,1-2H3.
What are the key properties of 1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one?
1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 2885.41 g/mol, XLogP of 33.10, 43 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylimidazol-4-yl)-2-methylpropan-1-one;5-(4-fluorophenyl)-2-(3-methyl-2-oxobutyl)benzoic acid;5-fluoro-2-propan-2-ylpyrimidine;1-(furan-2-yl)-2-methylpropan-1-one;1-(1H-imidazol-5-yl)-2-methylpropan-1-one;1-(2-methoxyphenyl)-3-methylbutan-2-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methyl-3H-pyrrol-5-yl)propan-1-one;2-methyl-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-one;2-methyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-(4-methylsulfonylphenyl)benzoic acid;2-(3-methyl-2-oxobutyl)-5-phenylbenzoic acid;2-methyl-1-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 158806316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).