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

C188H249Cl2N15O24S — CID 159437621

IUPAC1-(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
SMILESC.C.C.C.C.CC(C)C(=O)Cc1ccc(-c2ccccc2)cc1C(=O)O.CC(C)C(=O)c1ccco1.CC(C)C(=O)c1cn(C)cn1.CC(C)C(=O)c1cn(Cc2ccccc2)cn1.CC(C)C(=O)c1cnc[nH]1.CC(C)C(=O)c1cncn1C.CC(C)C(=O)c1nccs1.COC(=O)c1ccc(Cl)cc1CC(=O)C(C)C.Cc1cc(C(=O)C(C)C)n(C)n1.Cc1cc(C(=O)C(C)C)nn1C.Cc1ccc(-c2ccc(CC(=O)C(C)C)c(C(=O)O)c2)cc1.Cc1ccc(-c2ccc(CC(=O)C(C)C)c(C(=O)O)c2)cc1.Cc1ccc(Cl)cc1CC(=O)C(C)C.Cc1ccccc1CC(=O)C(C)C.Cc1ccccc1CC(=O)C(C)C.Cc1cnc(C(C)C)nc1
InChIInChI=1S/2C19H20O3.C18H18O3.C14H16N2O.C13H15ClO3.C12H15ClO.2C12H16O.2C9H14N2O.2C8H12N2O.C8H12N2.C8H10O2.C7H10N2O.C7H9NOS.5CH4/c2*1-12(2)18(20)11-16-9-8-15(10-17(16)19(21)22)14-6-4-13(3)5-7-14;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)12(15)7-9-6-10(14)4-5-11(9)13(16)17-3;1-8(2)12(14)7-10-6-11(13)5-4-9(10)3;2*1-9(2)12(13)8-11-7-5-4-6-10(11)3;1-6(2)9(12)8-5-7(3)11(4)10-8;1-6(2)9(12)8-5-7(3)10-11(8)4;1-6(2)8(11)7-4-10(3)5-9-7;1-6(2)8(11)7-4-9-5-10(7)3;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8(9)7-4-3-5-10-7;1-5(2)7(10)6-3-8-4-9-6;1-5(2)6(9)7-8-3-4-10-7;;;;;/h2*4-10,12H,11H2,1-3H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,20,21);3-7,9-11H,8H2,1-2H3;4-6,8H,7H2,1-3H3;4-6,8H,7H2,1-3H3;2*4-7,9H,8H2,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3,(H,8,9);3-5H,1-2H3;5*1H4
InChIKeyLRTSXLYARFWNBR-UHFFFAOYSA-N
MW3206.11 g/mol
LogP42.77
Rot. Bonds47

About 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

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 (PubChem CID 159437621) has the molecular formula C188H249Cl2N15O24S and a molecular weight of 3206.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159437621
Molecular FormulaC188H249Cl2N15O24S
Molecular Weight3206.11 g/mol
Exact Mass3202.78
IUPAC Name1-(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
SMILESC.C.C.C.C.CC(C)C(=O)Cc1ccc(-c2ccccc2)cc1C(=O)O.CC(C)C(=O)c1ccco1.CC(C)C(=O)c1cn(C)cn1.CC(C)C(=O)c1cn(Cc2ccccc2)cn1.CC(C)C(=O)c1cnc[nH]1.CC(C)C(=O)c1cncn1C.CC(C)C(=O)c1nccs1.COC(=O)c1ccc(Cl)cc1CC(=O)C(C)C.Cc1cc(C(=O)C(C)C)n(C)n1.Cc1cc(C(=O)C(C)C)nn1C.Cc1ccc(-c2ccc(CC(=O)C(C)C)c(C(=O)O)c2)cc1.Cc1ccc(-c2ccc(CC(=O)C(C)C)c(C(=O)O)c2)cc1.Cc1ccc(Cl)cc1CC(=O)C(C)C.Cc1ccccc1CC(=O)C(C)C.Cc1ccccc1CC(=O)C(C)C.Cc1cnc(C(C)C)nc1
InChIInChI=1S/2C19H20O3.C18H18O3.C14H16N2O.C13H15ClO3.C12H15ClO.2C12H16O.2C9H14N2O.2C8H12N2O.C8H12N2.C8H10O2.C7H10N2O.C7H9NOS.5CH4/c2*1-12(2)18(20)11-16-9-8-15(10-17(16)19(21)22)14-6-4-13(3)5-7-14;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)12(15)7-9-6-10(14)4-5-11(9)13(16)17-3;1-8(2)12(14)7-10-6-11(13)5-4-9(10)3;2*1-9(2)12(13)8-11-7-5-4-6-10(11)3;1-6(2)9(12)8-5-7(3)11(4)10-8;1-6(2)9(12)8-5-7(3)10-11(8)4;1-6(2)8(11)7-4-10(3)5-9-7;1-6(2)8(11)7-4-9-5-10(7)3;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8(9)7-4-3-5-10-7;1-5(2)7(10)6-3-8-4-9-6;1-5(2)6(9)7-8-3-4-10-7;;;;;/h2*4-10,12H,11H2,1-3H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,20,21);3-7,9-11H,8H2,1-2H3;4-6,8H,7H2,1-3H3;4-6,8H,7H2,1-3H3;2*4-7,9H,8H2,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3,(H,8,9);3-5H,1-2H3;5*1H4
InChIKeyLRTSXLYARFWNBR-UHFFFAOYSA-N
XLogP42.77
TPSA563.84 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds47
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003206.11
LogP ≤ 542.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Related Compounds

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
4-(4-Chlorophenyl)-2-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid;methane
CID 159777620
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
Tert-butyl 4-(4-bromophenyl)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate;4-(4-chlorophenyl)-2-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 157585647
Tert-butyl 2-(4-bromophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 159721859
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
4-(4-Chlorophenyl)-2-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 160898630

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.CC(C)C(=O)Cc1ccc(-c2ccccc2)cc1C(=O)O.CC(C)C(=O)c1ccco1.CC(C)C(=O)c1cn(C)cn1.CC(C)C(=O)c1cn(Cc2ccccc2)cn1.CC(C)C(=O)c1cnc[nH]1.CC(C)C(=O)c1cncn1C.CC(C)C(=O)c1nccs1.COC(=O)c1ccc(Cl)cc1CC(=O)C(C)C.Cc1cc(C(=O)C(C)C)n(C)n1.Cc1cc(C(=O)C(C)C)nn1C.Cc1ccc(-c2ccc(CC(=O)C(C)C)c(C(=O)O)c2)cc1.Cc1ccc(-c2ccc(CC(=O)C(C)C)c(C(=O)O)c2)cc1.Cc1ccc(Cl)cc1CC(=O)C(C)C.Cc1ccccc1CC(=O)C(C)C.Cc1ccccc1CC(=O)C(C)C.Cc1cnc(C(C)C)nc1.
What is the InChIKey of 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?
The InChIKey is LRTSXLYARFWNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H20O3.C18H18O3.C14H16N2O.C13H15ClO3.C12H15ClO.2C12H16O.2C9H14N2O.2C8H12N2O.C8H12N2.C8H10O2.C7H10N2O.C7H9NOS.5CH4/c2*1-12(2)18(20)11-16-9-8-15(10-17(16)19(21)22)14-6-4-13(3)5-7-14;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)12(15)7-9-6-10(14)4-5-11(9)13(16)17-3;1-8(2)12(14)7-10-6-11(13)5-4-9(10)3;2*1-9(2)12(13)8-11-7-5-4-6-10(11)3;1-6(2)9(12)8-5-7(3)11(4)10-8;1-6(2)9(12)8-5-7(3)10-11(8)4;1-6(2)8(11)7-4-10(3)5-9-7;1-6(2)8(11)7-4-9-5-10(7)3;1-6(2)8-9-4-7(3)5-10-8;1-6(2)8(9)7-4-3-5-10-7;1-5(2)7(10)6-3-8-4-9-6;1-5(2)6(9)7-8-3-4-10-7;;;;;/h2*4-10,12H,11H2,1-3H3,(H,21,22);3-10,12H,11H2,1-2H3,(H,20,21);3-7,9-11H,8H2,1-2H3;4-6,8H,7H2,1-3H3;4-6,8H,7H2,1-3H3;2*4-7,9H,8H2,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3,(H,8,9);3-5H,1-2H3;5*1H4.
What are the key properties of 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?
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 has a molecular weight of 3206.11 g/mol, XLogP of 42.77, 47 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159437621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).