4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine

C225H274N54O5 — CID 159320120

IUPAC4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(=O)N1CCc2c(C(C)C)cccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cnccc12.CC(C)c1[nH]nc2cncnc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1c[nH]c2ncncc12.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)c1cccc2c(N)n[nH]c12.CC(C)c1cccc2c(N)noc12.CC(C)c1cccc2c1CC(=O)N2.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/C13H17NO.2C11H13NO.2C11H13N.C10H13N3.2C10H12N2O.6C10H12N2.6C9H11N3.3C8H10N4/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-7(2)8-4-3-5-10-9(8)6-11(13)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;1-6(2)7-4-3-5-8-9(7)12-13-10(8)11;1-6(2)7-4-3-5-8-9(7)12-10(13)11-8;1-6(2)7-4-3-5-8-9(7)13-12-10(8)11;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)9-5-12-10-6-11-4-3-8(9)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;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)7-4-11-9-8(7)3-10-5-12-9;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)9-7-3-4-10-5-8(7)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)7-8-6(11-12-7)3-9-4-10-8;1-5(2)7-6-3-11-12-8(6)10-4-9-7;1-5(2)7-6-3-9-4-10-8(6)12-11-7/h4-6,9H,7-8H2,1-3H3;2*3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-6H,1-2H3,(H3,11,12,13);3-6H,1-2H3,(H2,11,12,13);3-6H,1-2H3,(H2,11,12);2*3-7,12H,1-2H3;4*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);3*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,11,12);2*3-5H,1-2H3,(H,9,10,11,12)
InChIKeyLDQQEZLUSQADHP-UHFFFAOYSA-N
MW3815.04 g/mol
LogP53.73
Rot. Bonds23

About 4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine

4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 159320120) has the molecular formula C225H274N54O5 and a molecular weight of 3815.04 g/mol. Its IUPAC name is 4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID159320120
Molecular FormulaC225H274N54O5
Molecular Weight3815.04 g/mol
Exact Mass3812.28
IUPAC Name4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(=O)N1CCc2c(C(C)C)cccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cnccc12.CC(C)c1[nH]nc2cncnc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1c[nH]c2ncncc12.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)c1cccc2c(N)n[nH]c12.CC(C)c1cccc2c(N)noc12.CC(C)c1cccc2c1CC(=O)N2.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/C13H17NO.2C11H13NO.2C11H13N.C10H13N3.2C10H12N2O.6C10H12N2.6C9H11N3.3C8H10N4/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-7(2)8-4-3-5-10-9(8)6-11(13)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;1-6(2)7-4-3-5-8-9(7)12-13-10(8)11;1-6(2)7-4-3-5-8-9(7)12-10(13)11-8;1-6(2)7-4-3-5-8-9(7)13-12-10(8)11;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)9-5-12-10-6-11-4-3-8(9)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;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)7-4-11-9-8(7)3-10-5-12-9;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)9-7-3-4-10-5-8(7)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)7-8-6(11-12-7)3-9-4-10-8;1-5(2)7-6-3-11-12-8(6)10-4-9-7;1-5(2)7-6-3-9-4-10-8(6)12-11-7/h4-6,9H,7-8H2,1-3H3;2*3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-6H,1-2H3,(H3,11,12,13);3-6H,1-2H3,(H2,11,12,13);3-6H,1-2H3,(H2,11,12);2*3-7,12H,1-2H3;4*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);3*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,11,12);2*3-5H,1-2H3,(H,9,10,11,12)
InChIKeyLDQQEZLUSQADHP-UHFFFAOYSA-N
XLogP53.73
TPSA850.37 Ų
H-Bond Donors24
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003815.04
LogP ≤ 553.73
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1036

Analyze 4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

US20240025884, Example 444
CID 170673079
1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;2-(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;(2S,5S)-1-benzyl-N,N-dimethyl-5-[2-oxo-2-(3-pyridin-4-yl-1H-indazol-5-yl)ethyl]piperidine-2-carboxamide;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-methylidenepiperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indazol-5-yl]ethanone
CID 157191275
4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbenzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-methyl-7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(oxetan-3-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 157623528
3-(1,1-difluoro-2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-ethylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
CID 157662930
4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158143448
N,N-dimethyl-3-[[6-methyl-7-(2-pyrazolo[1,5-a]pyrimidin-3-ylethynyl)-1,2-benzoxazol-3-yl]methyl]aniline;7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-3-[[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[[3-methyl-5-(piperidin-1-ylmethyl)phenyl]methyl]-1,2-benzoxazole
CID 158210941
3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2-pyrrolidin-1-ylethyl)-1,2-benzoxazol-6-amine
CID 158313099
7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-[[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-6-methyl-1,2-benzoxazole;N-[[3-[[7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole
CID 158470085
2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 158765164
3-[2-[(3,3-difluorocyclobutyl)amino]prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[1-(6-methylidene-1H-pyridin-3-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 158926049
7-[2-(2H-benzotriazol-5-yl)ethynyl]-6-methyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-methyl-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;6-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-1,2-benzoxazole;6-methyl-3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-1,2-benzoxazole
CID 159047536
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-indazol-2-ium-6-ylethynyl)-6-methyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole
CID 159297897

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 159320120) is 4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine is CC(=O)N1CCc2c(C(C)C)cccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1[nH]nc2cnccc12.CC(C)c1[nH]nc2cncnc12.CC(C)c1[nH]nc2ncncc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1c[nH]c2ncncc12.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)c1cccc2c(N)n[nH]c12.CC(C)c1cccc2c(N)noc12.CC(C)c1cccc2c1CC(=O)N2.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 4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is LDQQEZLUSQADHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.2C11H13NO.2C11H13N.C10H13N3.2C10H12N2O.6C10H12N2.6C9H11N3.3C8H10N4/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-7(2)8-4-3-5-10-9(8)6-11(13)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;1-6(2)7-4-3-5-8-9(7)12-13-10(8)11;1-6(2)7-4-3-5-8-9(7)12-10(13)11-8;1-6(2)7-4-3-5-8-9(7)13-12-10(8)11;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)9-5-12-10-6-11-4-3-8(9)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;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)7-4-11-9-8(7)3-10-5-12-9;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)9-7-3-4-10-5-8(7)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)7-8-6(11-12-7)3-9-4-10-8;1-5(2)7-6-3-11-12-8(6)10-4-9-7;1-5(2)7-6-3-9-4-10-8(6)12-11-7/h4-6,9H,7-8H2,1-3H3;2*3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-6H,1-2H3,(H3,11,12,13);3-6H,1-2H3,(H2,11,12,13);3-6H,1-2H3,(H2,11,12);2*3-7,12H,1-2H3;4*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);3*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,11,12);2*3-5H,1-2H3,(H,9,10,11,12).
What are the key properties of 4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine?
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 3815.04 g/mol, XLogP of 53.73, 23 rotatable bonds, 24 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;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;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 159320120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).