6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole

C225H264F10N44O8S3 — CID 160514725

IUPAC6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole
SMILESCC(C)c1cc(C(F)(F)F)cc2[nH]ccc12.CC(C)c1cc(C(F)(F)F)cc2[nH]cnc12.CC(C)c1cc(F)cc2[nH]ccc12.CC(C)c1cc(F)cc2[nH]cnc12.CC(C)c1cc(F)cc2[nH]ncc12.CC(C)c1cc(F)cc2[nH]ncc12.CC(C)c1cc(S(C)(=O)=O)cc2[nH]ccc12.CC(C)c1cc(S(C)(=O)=O)cc2[nH]cnc12.CC(C)c1cc(S(C)(=O)=O)cc2[nH]ncc12.CC(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1NC(=O)C2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cn[nH]c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1cncc2[nH]ccc12.CC(C)c1cncc2[nH]cnc12.CC(C)c1cncc2[nH]ncc12.CC(C)c1ncnc2[nH]ncc12
InChIInChI=1S/C12H12F3N.C12H15NO2S.C11H11F3N2.C11H12FN.2C11H14N2O2S.C11H13NO.2C11H13N.3C10H11FN2.C10H12N2O.4C10H12N2.4C9H11N3.C8H10N4/c1-7(2)10-5-8(12(13,14)15)6-11-9(10)3-4-16-11;1-8(2)11-6-9(16(3,14)15)7-12-10(11)4-5-13-12;1-6(2)8-3-7(11(12,13)14)4-9-10(8)16-5-15-9;1-7(2)10-5-8(12)6-11-9(10)3-4-13-11;1-7(2)9-4-8(16(3,14)15)5-11-10(9)6-12-13-11;1-7(2)9-4-8(16(3,14)15)5-10-11(9)13-6-12-10;1-7(2)9-5-3-4-8-6-10(13)12-11(8)9;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-6(2)8-3-7(11)4-10-9(8)5-12-13-10;1-6(2)8-3-7(11)4-9-10(8)13-5-12-9;1-6(2)7-4-3-5-8-9(7)12-10(13)11-8;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-6(2)7-3-10-4-8-9(7)12-5-11-8;1-6(2)7-3-10-5-9-8(7)4-11-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-5(2)7-6-3-11-12-8(6)10-4-9-7/h3-7,16H,1-2H3;4-8,13H,1-3H3;3-6H,1-2H3,(H,15,16);3-7,13H,1-2H3;2*4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3*3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12,13);3-7,12H,1-2H3;3*3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12)
InChIKeyQTMQBTIHAMCZEK-UHFFFAOYSA-N
MW3999.07 g/mol
LogP58.21
Rot. Bonds25

About 6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole

6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole (PubChem CID 160514725) has the molecular formula C225H264F10N44O8S3 and a molecular weight of 3999.07 g/mol. Its IUPAC name is 6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole
PubChem CID160514725
Molecular FormulaC225H264F10N44O8S3
Molecular Weight3999.07 g/mol
Exact Mass3996.06
IUPAC Name6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole
SMILESCC(C)c1cc(C(F)(F)F)cc2[nH]ccc12.CC(C)c1cc(C(F)(F)F)cc2[nH]cnc12.CC(C)c1cc(F)cc2[nH]ccc12.CC(C)c1cc(F)cc2[nH]cnc12.CC(C)c1cc(F)cc2[nH]ncc12.CC(C)c1cc(F)cc2[nH]ncc12.CC(C)c1cc(S(C)(=O)=O)cc2[nH]ccc12.CC(C)c1cc(S(C)(=O)=O)cc2[nH]cnc12.CC(C)c1cc(S(C)(=O)=O)cc2[nH]ncc12.CC(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1NC(=O)C2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cn[nH]c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1cncc2[nH]ccc12.CC(C)c1cncc2[nH]cnc12.CC(C)c1cncc2[nH]ncc12.CC(C)c1ncnc2[nH]ncc12
InChIInChI=1S/C12H12F3N.C12H15NO2S.C11H11F3N2.C11H12FN.2C11H14N2O2S.C11H13NO.2C11H13N.3C10H11FN2.C10H12N2O.4C10H12N2.4C9H11N3.C8H10N4/c1-7(2)10-5-8(12(13,14)15)6-11-9(10)3-4-16-11;1-8(2)11-6-9(16(3,14)15)7-12-10(11)4-5-13-12;1-6(2)8-3-7(11(12,13)14)4-9-10(8)16-5-15-9;1-7(2)10-5-8(12)6-11-9(10)3-4-13-11;1-7(2)9-4-8(16(3,14)15)5-11-10(9)6-12-13-11;1-7(2)9-4-8(16(3,14)15)5-10-11(9)13-6-12-10;1-7(2)9-5-3-4-8-6-10(13)12-11(8)9;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-6(2)8-3-7(11)4-10-9(8)5-12-13-10;1-6(2)8-3-7(11)4-9-10(8)13-5-12-9;1-6(2)7-4-3-5-8-9(7)12-10(13)11-8;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-6(2)7-3-10-4-8-9(7)12-5-11-8;1-6(2)7-3-10-5-9-8(7)4-11-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-5(2)7-6-3-11-12-8(6)10-4-9-7/h3-7,16H,1-2H3;4-8,13H,1-3H3;3-6H,1-2H3,(H,15,16);3-7,13H,1-2H3;2*4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3*3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12,13);3-7,12H,1-2H3;3*3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12)
InChIKeyQTMQBTIHAMCZEK-UHFFFAOYSA-N
XLogP58.21
TPSA766.66 Ų
H-Bond Donors23
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003999.07
LogP ≤ 558.21
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1029

Analyze 6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole?
The IUPAC name of 6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole (CID 160514725) is 6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole?
The canonical SMILES for 6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole is CC(C)c1cc(C(F)(F)F)cc2[nH]ccc12.CC(C)c1cc(C(F)(F)F)cc2[nH]cnc12.CC(C)c1cc(F)cc2[nH]ccc12.CC(C)c1cc(F)cc2[nH]cnc12.CC(C)c1cc(F)cc2[nH]ncc12.CC(C)c1cc(F)cc2[nH]ncc12.CC(C)c1cc(S(C)(=O)=O)cc2[nH]ccc12.CC(C)c1cc(S(C)(=O)=O)cc2[nH]cnc12.CC(C)c1cc(S(C)(=O)=O)cc2[nH]ncc12.CC(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1NC(=O)C2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cn[nH]c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1cncc2[nH]ccc12.CC(C)c1cncc2[nH]cnc12.CC(C)c1cncc2[nH]ncc12.CC(C)c1ncnc2[nH]ncc12.
What is the InChIKey of 6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole?
The InChIKey is QTMQBTIHAMCZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N.C12H15NO2S.C11H11F3N2.C11H12FN.2C11H14N2O2S.C11H13NO.2C11H13N.3C10H11FN2.C10H12N2O.4C10H12N2.4C9H11N3.C8H10N4/c1-7(2)10-5-8(12(13,14)15)6-11-9(10)3-4-16-11;1-8(2)11-6-9(16(3,14)15)7-12-10(11)4-5-13-12;1-6(2)8-3-7(11(12,13)14)4-9-10(8)16-5-15-9;1-7(2)10-5-8(12)6-11-9(10)3-4-13-11;1-7(2)9-4-8(16(3,14)15)5-11-10(9)6-12-13-11;1-7(2)9-4-8(16(3,14)15)5-10-11(9)13-6-12-10;1-7(2)9-5-3-4-8-6-10(13)12-11(8)9;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-6(2)8-3-7(11)4-10-9(8)5-12-13-10;1-6(2)8-3-7(11)4-9-10(8)13-5-12-9;1-6(2)7-4-3-5-8-9(7)12-10(13)11-8;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-6(2)7-3-10-4-8-9(7)12-5-11-8;1-6(2)7-3-10-5-9-8(7)4-11-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-5(2)7-6-3-11-12-8(6)10-4-9-7/h3-7,16H,1-2H3;4-8,13H,1-3H3;3-6H,1-2H3,(H,15,16);3-7,13H,1-2H3;2*4-7H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3*3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H2,11,12,13);3-7,12H,1-2H3;3*3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12).
What are the key properties of 6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole?
6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole has a molecular weight of 3999.07 g/mol, XLogP of 58.21, 25 rotatable bonds, 23 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-propan-2-yl-1H-benzimidazole;bis(6-fluoro-4-propan-2-yl-1H-indazole);6-fluoro-4-propan-2-yl-1H-indole;6-methylsulfonyl-4-propan-2-yl-1H-benzimidazole;6-methylsulfonyl-4-propan-2-yl-1H-indazole;6-methylsulfonyl-4-propan-2-yl-1H-indole;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazole;4-propan-2-yl-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 160514725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).