6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one

C198H248N20O11S — CID 160627808

IUPAC6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one
SMILESCC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(=O)[nH][nH]c(=O)c2c1.CC(C)(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NCC2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCNC2=O.CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)SCC(=O)N2.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccc(=O)[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H19N.C12H14N2O2.C12H15NOS.2C12H15N.3C11H14N2/c2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;2*1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;2*1-13(2,3)10-4-5-11-9(8-10)6-7-14-12(11)15;2*1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-12(2,3)7-4-5-8-9(6-7)11(16)14-13-10(8)15;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;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/h5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,6,8H,5,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-7H,8-10H2,1-3H3;4-6H,1-3H3,(H,13,15)(H,14,16);4-6H,7H2,1-3H3,(H,13,14);2*4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13)
InChIKeyRHNNGUVBYAAZEO-UHFFFAOYSA-N
MW3116.36 g/mol
LogP44.48
Rot. Bonds

About 6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one

6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one (PubChem CID 160627808) has the molecular formula C198H248N20O11S and a molecular weight of 3116.36 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one
PubChem CID160627808
Molecular FormulaC198H248N20O11S
Molecular Weight3116.36 g/mol
Exact Mass3113.92
IUPAC Name6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one
SMILESCC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(=O)[nH][nH]c(=O)c2c1.CC(C)(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NCC2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCNC2=O.CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)SCC(=O)N2.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccc(=O)[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H19N.C12H14N2O2.C12H15NOS.2C12H15N.3C11H14N2/c2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;2*1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;2*1-13(2,3)10-4-5-11-9(8-10)6-7-14-12(11)15;2*1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-12(2,3)7-4-5-8-9(6-7)11(16)14-13-10(8)15;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;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/h5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,6,8H,5,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-7H,8-10H2,1-3H3;4-6H,1-3H3,(H,13,15)(H,14,16);4-6H,7H2,1-3H3,(H,13,14);2*4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13)
InChIKeyRHNNGUVBYAAZEO-UHFFFAOYSA-N
XLogP44.48
TPSA463.52 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003116.36
LogP ≤ 544.48
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Analyze 6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
5-[4-[(5-butyl-1H-pyrazol-3-yl)amino]-6-cyclopropyl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-thiomorpholin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1,7-naphthyridin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 157887985
3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 160413058
N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide
CID 137053559
N-[5-[3-(7-methyl-4-thiophen-2-yl-1H-indol-2-yl)-7-[2-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydrothiophen-4-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145246410
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
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
N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;2-phenyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-propan-2-yl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 157223617
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
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide;N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide;1-[5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 157382096
N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 157438174
7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 157453065

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one (CID 160627808) is 6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one is CC(C)(C)N1CCc2ccccc2C1.CC(C)(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(=O)[nH][nH]c(=O)c2c1.CC(C)(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NCC2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CCNC2=O.CC(C)(C)c1ccc2c(c1)NC(=O)CC2.CC(C)(C)c1ccc2c(c1)SCC(=O)N2.CC(C)(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccc(=O)[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-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one?
The InChIKey is RHNNGUVBYAAZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H17NO.C13H15NO.C13H19N.C12H14N2O2.C12H15NOS.2C12H15N.3C11H14N2/c2*1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;2*1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;2*1-13(2,3)10-4-5-11-9(8-10)6-7-14-12(11)15;2*1-13(2,3)10-5-4-9-6-7-14-12(15)11(9)8-10;1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14;1-12(2,3)7-4-5-8-9(6-7)11(16)14-13-10(8)15;1-12(2,3)8-4-5-9-10(6-8)15-7-11(14)13-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;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/h5-6,8H,4,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,6,8H,5,7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4-7H,8-10H2,1-3H3;4-6H,1-3H3,(H,13,15)(H,14,16);4-6H,7H2,1-3H3,(H,13,14);2*4-8,13H,1-3H3;3*4-7H,1-3H3,(H,12,13).
What are the key properties of 6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one?
6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one has a molecular weight of 3116.36 g/mol, XLogP of 44.48, 0 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one is sourced from PubChem (CID 160627808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).