2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine

C162H203F4N25O2 — CID 161189138

IUPAC2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2cc(F)cnc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2cccnc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc2c1OCCO2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccn(C)n1.CC(C)c1ccncn1.CC(C)c1cn(C)cn1.CC(C)c1cn2ccccc2n1.Cc1cccc(C(C)C)n1
InChIInChI=1S/2C13H15N.C12H13FN2.C12H14N2.2C11H14N2.C11H13N.C11H14O2.2C10H12N2.C9H10F3N.C9H10N2.C9H13N.2C7H12N2.C7H10N2/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)9-4-5-14-10-6-8(13)7-15-11(9)10;1-12(2,3)9-6-8-13-10-5-4-7-14-11(9)10;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-10(2,3)9-6-4-5-8(7-11)12-9;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7/h2*4-9H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3
InChIKeyUTMCASJWQHKPHO-UHFFFAOYSA-N
MW2608.57 g/mol
LogP41.63
Rot. Bonds9

About 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine

2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 161189138) has the molecular formula C162H203F4N25O2 and a molecular weight of 2608.57 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine
PubChem CID161189138
Molecular FormulaC162H203F4N25O2
Molecular Weight2608.57 g/mol
Exact Mass2606.65
IUPAC Name2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2cc(F)cnc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2cccnc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc2c1OCCO2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccn(C)n1.CC(C)c1ccncn1.CC(C)c1cn(C)cn1.CC(C)c1cn2ccccc2n1.Cc1cccc(C(C)C)n1
InChIInChI=1S/2C13H15N.C12H13FN2.C12H14N2.2C11H14N2.C11H13N.C11H14O2.2C10H12N2.C9H10F3N.C9H10N2.C9H13N.2C7H12N2.C7H10N2/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)9-4-5-14-10-6-8(13)7-15-11(9)10;1-12(2,3)9-6-8-13-10-5-4-7-14-11(9)10;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-10(2,3)9-6-4-5-8(7-11)12-9;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7/h2*4-9H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3
InChIKeyUTMCASJWQHKPHO-UHFFFAOYSA-N
XLogP41.63
TPSA335.43 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds9
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002608.57
LogP ≤ 541.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine with MolForge

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Related Compounds

4-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7-[[2-[1-[6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-methylpiperidin-4-yl]-4-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 130455743
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145249347
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157096462
6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methylidene-3H-1-benzofuran;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;methane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 157938251
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbenzimidazol-5-yl]pyrimidin-2-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrazol-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-pyridin-4-ylbenzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 158062262
N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine
CID 158340363
12-[3-Ethoxy-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-methyl-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 158357061
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol
CID 158501644
8-(6-amino-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyridine-2-carbonitrile;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-5-amine
CID 159157700
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 159241762
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;3-methyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;2-[4-(trifluoromethoxy)anilino]-6-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carbonitrile
CID 159588422
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[4-(4-methylphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 159600755

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine (CID 161189138) is 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine is CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2cc(F)cnc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2cccnc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc2c1OCCO2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccn(C)n1.CC(C)c1ccncn1.CC(C)c1cn(C)cn1.CC(C)c1cn2ccccc2n1.Cc1cccc(C(C)C)n1.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The InChIKey is UTMCASJWQHKPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N.C12H13FN2.C12H14N2.2C11H14N2.C11H13N.C11H14O2.2C10H12N2.C9H10F3N.C9H10N2.C9H13N.2C7H12N2.C7H10N2/c1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)9-4-5-14-10-6-8(13)7-15-11(9)10;1-12(2,3)9-6-8-13-10-5-4-7-14-11(9)10;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-10(2,3)9-6-4-5-8(7-11)12-9;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7/h2*4-9H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine has a molecular weight of 2608.57 g/mol, XLogP of 41.63, 9 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 161189138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).