6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane

C148H188N18O9 — CID 157483724

IUPAC6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane
SMILESC.CC(C)(C)c1ccc2[nH]c(=O)cc(O)c2c1.CC(C)(C)c1ccc2[nH]cc(C(N)=O)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(O)cc(=O)[nH]c2c1.CC(C)(C)c1ccc2c(c1)C(=O)NCC2.CC(C)(C)c1ccc2c(c1)C(=O)NCC2=O.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H16N2O.3C13H15NO2.C13H17NO.C13H15NO.C13H19N.C12H15N.C11H15N3.3C11H14N2.CH4/c1-13(2,3)8-4-5-11-9(6-8)10(7-15-11)12(14)16;1-13(2,3)8-4-5-10-9(6-8)11(15)7-12(16)14-10;1-13(2,3)8-4-5-9-10(6-8)12(16)14-7-11(9)15;1-13(2,3)8-4-5-9-10(6-8)14-12(16)7-11(9)15;2*1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;/h4-7,15H,1-3H3,(H2,14,16);4-7H,1-3H3,(H2,14,15,16);4-6H,7H2,1-3H3,(H,14,16);4-7H,1-3H3,(H2,14,15,16);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8,14H,6-7,9H2,1-3H3;4-8,13H,1-3H3;4-6H,1-3H3,(H3,12,13,14);3*4-7H,1-3H3,(H,12,13);1H4
InChIKeyBWLPHVLCFLYWNV-UHFFFAOYSA-N
MW2363.25 g/mol
LogP32.39
Rot. Bonds1

About 6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane

6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane (PubChem CID 157483724) has the molecular formula C148H188N18O9 and a molecular weight of 2363.25 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane
PubChem CID157483724
Molecular FormulaC148H188N18O9
Molecular Weight2363.25 g/mol
Exact Mass2361.48
IUPAC Name6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane
SMILESC.CC(C)(C)c1ccc2[nH]c(=O)cc(O)c2c1.CC(C)(C)c1ccc2[nH]cc(C(N)=O)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(O)cc(=O)[nH]c2c1.CC(C)(C)c1ccc2c(c1)C(=O)NCC2.CC(C)(C)c1ccc2c(c1)C(=O)NCC2=O.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H16N2O.3C13H15NO2.C13H17NO.C13H15NO.C13H19N.C12H15N.C11H15N3.3C11H14N2.CH4/c1-13(2,3)8-4-5-11-9(6-8)10(7-15-11)12(14)16;1-13(2,3)8-4-5-10-9(6-8)11(15)7-12(16)14-10;1-13(2,3)8-4-5-9-10(6-8)12(16)14-7-11(9)15;1-13(2,3)8-4-5-9-10(6-8)14-12(16)7-11(9)15;2*1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;/h4-7,15H,1-3H3,(H2,14,16);4-7H,1-3H3,(H2,14,15,16);4-6H,7H2,1-3H3,(H,14,16);4-7H,1-3H3,(H2,14,15,16);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8,14H,6-7,9H2,1-3H3;4-8,13H,1-3H3;4-6H,1-3H3,(H3,12,13,14);3*4-7H,1-3H3,(H,12,13);1H4
InChIKeyBWLPHVLCFLYWNV-UHFFFAOYSA-N
XLogP32.39
TPSA441.75 Ų
H-Bond Donors16
H-Bond Acceptors15
Rotatable Bonds1
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002363.25
LogP ≤ 532.39
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1015

Analyze 6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazol-2-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione
CID 155448979
2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione
CID 155449248
5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one
CID 157144676
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;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
CID 157181237
1,4-dimethyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-1,4-dimethylpyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]quinoxaline-2-carboxamide;6-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazine-2-carboxamide;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;6-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 157196899
6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 157205753
7-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;2-propan-2-yl-1,8-naphthyridine;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;7-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[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;7-propan-2-yl-1H-quinazolin-2-one;7-propan-2-yl-1H-quinoxalin-2-one
CID 157254143
2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one
CID 157358332
N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 157423914
5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one
CID 157523402
3-tert-butyl-2-methyl-1H-indole;3-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;5-tert-butyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine;2-tert-butyl-3-propan-2-ylpyrazine;3-tert-butyl-2-propan-2-ylquinoline;3-tert-butyl-2-propan-2-yl-5,6,7,8-tetrahydroquinoline;2,3-ditert-butylbenzo[h]quinoline;5,6-ditert-butyl-1H-imidazo[4,5-b]pyridine;5,6-ditert-butyl-1H-pyrazolo[3,4-b]pyridine;bis(2,3-ditert-butylpyridine);bis(3,4-ditert-butylpyridine);5,6-ditert-butyl-1H-pyrrolo[2,3-b]pyridine;3,4-ditert-butylquinoline
CID 157533931
3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-indole-4-carboxylic acid;4-tert-butylisoquinoline;5-tert-butyl-3-methyl-2H-indazole;5-tert-butylquinoline;methane;methyl 3-tert-butyl-4-methylbenzoate
CID 157544281

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane (CID 157483724) is 6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane is C.CC(C)(C)c1ccc2[nH]c(=O)cc(O)c2c1.CC(C)(C)c1ccc2[nH]cc(C(N)=O)c2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(N)n[nH]c2c1.CC(C)(C)c1ccc2c(O)cc(=O)[nH]c2c1.CC(C)(C)c1ccc2c(c1)C(=O)NCC2.CC(C)(C)c1ccc2c(c1)C(=O)NCC2=O.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane?
The InChIKey is BWLPHVLCFLYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.3C13H15NO2.C13H17NO.C13H15NO.C13H19N.C12H15N.C11H15N3.3C11H14N2.CH4/c1-13(2,3)8-4-5-11-9(6-8)10(7-15-11)12(14)16;1-13(2,3)8-4-5-10-9(6-8)11(15)7-12(16)14-10;1-13(2,3)8-4-5-9-10(6-8)12(16)14-7-11(9)15;1-13(2,3)8-4-5-9-10(6-8)14-12(16)7-11(9)15;2*1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)7-4-5-8-9(6-7)13-14-10(8)12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;/h4-7,15H,1-3H3,(H2,14,16);4-7H,1-3H3,(H2,14,15,16);4-6H,7H2,1-3H3,(H,14,16);4-7H,1-3H3,(H2,14,15,16);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8,14H,6-7,9H2,1-3H3;4-8,13H,1-3H3;4-6H,1-3H3,(H3,12,13,14);3*4-7H,1-3H3,(H,12,13);1H4.
What are the key properties of 6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane?
6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane has a molecular weight of 2363.25 g/mol, XLogP of 32.39, 1 rotatable bonds, 16 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;7-tert-butyl-2,3-dihydroisoquinoline-1,4-dione;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;7-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;methane is sourced from PubChem (CID 157483724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).