2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one

C195H227Cl11F8N34O10 — CID 160675724

IUPAC2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)c1cc(Cl)ccc1-n1nccn1.CC(C)c1ccc(-c2cnco2)c(Cl)c1.CC(C)c1ccc(-c2ncco2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2ccnc2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(F)c1.CC(F)Oc1ccc(C(C)C)cc1Cl.CCOc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1ccc(C(C)C)cc1Cl.COc1ccc(C)cc1C(C)C.COc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1nc(-n2nccn2)c(Cl)cc1C(C)C.Cc1cc(C(C)C)c(=O)n(C)c1.Cc1cc2c(c(C(C)C)c1)NC(=O)C2.Cc1ncn(-c2ccc(C(C)C)cc2Cl)n1
InChIInChI=1S/C13H15F3N4O.C12H14ClN3.3C12H13ClN2.2C12H12ClNO.C12H13F3N4O.C12H15NO.C11H14ClFO.C11H13ClN4O.2C11H12ClN3.C11H12FN3.C11H16O.C10H13ClO.C10H15NO/c1-4-21-12-9(8(2)3)7-10(13(14,15)16)11(19-12)20-17-5-6-18-20;1-8(2)10-4-5-12(11(13)6-10)16-7-14-9(3)15-16;2*1-9(2)10-4-5-12(11(13)8-10)15-7-3-6-14-15;1-9(2)10-3-4-12(11(13)7-10)15-6-5-14-8-15;1-8(2)9-3-4-10(11(13)5-9)12-6-14-7-15-12;1-8(2)9-3-4-10(11(13)7-9)12-14-5-6-15-12;1-7(2)8-6-9(12(13,14)15)10(18-11(8)20-3)19-16-4-5-17-19;1-7(2)10-5-8(3)4-9-6-11(14)13-12(9)10;1-7(2)9-4-5-11(10(12)6-9)14-8(3)13;1-7(2)8-6-9(12)10(15-11(8)17-3)16-13-4-5-14-16;1-8(2)10-7-9(12)3-4-11(10)15-13-5-6-14-15;2*1-8(2)9-3-4-11(10(12)7-9)15-13-5-6-14-15;1-8(2)10-7-9(3)5-6-11(10)12-4;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-8(3)6-11(4)10(9)12/h5-8H,4H2,1-3H3;4-8H,1-3H3;3*3-9H,1-2H3;2*3-8H,1-2H3;4-7H,1-3H3;4-5,7H,6H2,1-3H3,(H,13,14);4-8H,1-3H3;4-7H,1-3H3;3*3-8H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;5-7H,1-4H3
InChIKeyRNMQNAHBMVMVDT-UHFFFAOYSA-N
MW3749.16 g/mol
LogP54.81
Rot. Bonds37

About 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one

2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one (PubChem CID 160675724) has the molecular formula C195H227Cl11F8N34O10 and a molecular weight of 3749.16 g/mol. Its IUPAC name is 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one
PubChem CID160675724
Molecular FormulaC195H227Cl11F8N34O10
Molecular Weight3749.16 g/mol
Exact Mass3741.47
IUPAC Name2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)c1cc(Cl)ccc1-n1nccn1.CC(C)c1ccc(-c2cnco2)c(Cl)c1.CC(C)c1ccc(-c2ncco2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2ccnc2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(F)c1.CC(F)Oc1ccc(C(C)C)cc1Cl.CCOc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1ccc(C(C)C)cc1Cl.COc1ccc(C)cc1C(C)C.COc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1nc(-n2nccn2)c(Cl)cc1C(C)C.Cc1cc(C(C)C)c(=O)n(C)c1.Cc1cc2c(c(C(C)C)c1)NC(=O)C2.Cc1ncn(-c2ccc(C(C)C)cc2Cl)n1
InChIInChI=1S/C13H15F3N4O.C12H14ClN3.3C12H13ClN2.2C12H12ClNO.C12H13F3N4O.C12H15NO.C11H14ClFO.C11H13ClN4O.2C11H12ClN3.C11H12FN3.C11H16O.C10H13ClO.C10H15NO/c1-4-21-12-9(8(2)3)7-10(13(14,15)16)11(19-12)20-17-5-6-18-20;1-8(2)10-4-5-12(11(13)6-10)16-7-14-9(3)15-16;2*1-9(2)10-4-5-12(11(13)8-10)15-7-3-6-14-15;1-9(2)10-3-4-12(11(13)7-10)15-6-5-14-8-15;1-8(2)9-3-4-10(11(13)5-9)12-6-14-7-15-12;1-8(2)9-3-4-10(11(13)7-9)12-14-5-6-15-12;1-7(2)8-6-9(12(13,14)15)10(18-11(8)20-3)19-16-4-5-17-19;1-7(2)10-5-8(3)4-9-6-11(14)13-12(9)10;1-7(2)9-4-5-11(10(12)6-9)14-8(3)13;1-7(2)8-6-9(12)10(15-11(8)17-3)16-13-4-5-14-16;1-8(2)10-7-9(12)3-4-11(10)15-13-5-6-14-15;2*1-8(2)9-3-4-11(10(12)7-9)15-13-5-6-14-15;1-8(2)10-7-9(3)5-6-11(10)12-4;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-8(3)6-11(4)10(9)12/h5-8H,4H2,1-3H3;4-8H,1-3H3;3*3-9H,1-2H3;2*3-8H,1-2H3;4-7H,1-3H3;4-5,7H,6H2,1-3H3,(H,13,14);4-8H,1-3H3;4-7H,1-3H3;3*3-8H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;5-7H,1-4H3
InChIKeyRNMQNAHBMVMVDT-UHFFFAOYSA-N
XLogP54.81
TPSA465.64 Ų
H-Bond Donors1
H-Bond Acceptors43
Rotatable Bonds37
Heavy Atoms258
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003749.16
LogP ≤ 554.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1043

Analyze 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one with MolForge

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Related Compounds

2-Chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 159055035
2-Chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one;2-(4-methyl-2-propan-2-ylphenyl)triazole
CID 160169729
6-[4-Amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2,3-dihydroisoindol-1-one;3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 160574485
6-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroisoindol-1-one;3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 161205204
1-(2-Chloro-4-propan-2-ylphenyl)-3-ethyl-5-methylpyrazole;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;1-(2-chloro-4-propan-2-ylphenyl)-5-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;2-(2-chloro-4-propan-2-ylphenyl)pyrazine;2-(2-chloro-4-propan-2-ylphenyl)pyrimidine
CID 162016676
5-[4-Amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2,3-dihydroisoindol-1-one;6-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2,3-dihydroisoindol-1-one;3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 164141389

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one (CID 160675724) is 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one is CC(C)c1cc(Cl)ccc1-n1nccn1.CC(C)c1ccc(-c2cnco2)c(Cl)c1.CC(C)c1ccc(-c2ncco2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2ccnc2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(F)c1.CC(F)Oc1ccc(C(C)C)cc1Cl.CCOc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1ccc(C(C)C)cc1Cl.COc1ccc(C)cc1C(C)C.COc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1nc(-n2nccn2)c(Cl)cc1C(C)C.Cc1cc(C(C)C)c(=O)n(C)c1.Cc1cc2c(c(C(C)C)c1)NC(=O)C2.Cc1ncn(-c2ccc(C(C)C)cc2Cl)n1.
What is the InChIKey of 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one?
The InChIKey is RNMQNAHBMVMVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O.C12H14ClN3.3C12H13ClN2.2C12H12ClNO.C12H13F3N4O.C12H15NO.C11H14ClFO.C11H13ClN4O.2C11H12ClN3.C11H12FN3.C11H16O.C10H13ClO.C10H15NO/c1-4-21-12-9(8(2)3)7-10(13(14,15)16)11(19-12)20-17-5-6-18-20;1-8(2)10-4-5-12(11(13)6-10)16-7-14-9(3)15-16;2*1-9(2)10-4-5-12(11(13)8-10)15-7-3-6-14-15;1-9(2)10-3-4-12(11(13)7-10)15-6-5-14-8-15;1-8(2)9-3-4-10(11(13)5-9)12-6-14-7-15-12;1-8(2)9-3-4-10(11(13)7-9)12-14-5-6-15-12;1-7(2)8-6-9(12(13,14)15)10(18-11(8)20-3)19-16-4-5-17-19;1-7(2)10-5-8(3)4-9-6-11(14)13-12(9)10;1-7(2)9-4-5-11(10(12)6-9)14-8(3)13;1-7(2)8-6-9(12)10(15-11(8)17-3)16-13-4-5-14-16;1-8(2)10-7-9(12)3-4-11(10)15-13-5-6-14-15;2*1-8(2)9-3-4-11(10(12)7-9)15-13-5-6-14-15;1-8(2)10-7-9(3)5-6-11(10)12-4;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-8(3)6-11(4)10(9)12/h5-8H,4H2,1-3H3;4-8H,1-3H3;3*3-9H,1-2H3;2*3-8H,1-2H3;4-7H,1-3H3;4-5,7H,6H2,1-3H3,(H,13,14);4-8H,1-3H3;4-7H,1-3H3;3*3-8H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;5-7H,1-4H3.
What are the key properties of 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one?
2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one has a molecular weight of 3749.16 g/mol, XLogP of 54.81, 37 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 160675724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).