(4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol

C188H257ClN44O9S4 — CID 157457485

IUPAC(4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol
SMILESCC(=O)Nc1cc(-n2ccc(C(C)(C)C)n2)ccn1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cccc2[nH]c(CO)nc12.CC(C)(C)c1cccc2n[nH]nc12.CC(C)(C)c1cncc2[nH]cnc12.CC(C)(C)c1cncc2c1nnn2CCO.CC(C)(C)c1cnn2c1OCCC2.CC(C)(C)c1cnn2ccc(=O)[nH]c12.CC(C)(C)c1csc(N2CCOCC2)n1.CC(C)(C)c1csc2c(N)ncnc12.CC(C)(C)c1csc2cc(C#N)cnc12.CC(C)(C)c1csc2cc(Cl)cnc12.CC1(C)COc2cc(C(C)(C)C)nn2C1.CC1COc2c(C(C)(C)C)cnn2C1.CCn1nnc2c(C(C)(C)C)cncc21.Cc1cn2cccc(C(C)(C)C)c2n1.Cn1nnc2c(C(C)(C)C)cncc21
InChIInChI=1S/C14H18N4O.C12H20N2O.C12H16N2O.C12H12N2S.C12H16N2.C11H12ClNS.C11H16N4O.C11H16N4.C11H18N2OS.C11H18N2O.C11H13NO.C10H14N4.C10H13N3O.C10H13N3S.2C10H13N3.C10H16N2O/c1-10(19)16-13-9-11(5-7-15-13)18-8-6-12(17-18)14(2,3)4;1-11(2,3)9-6-10-14(13-9)7-12(4,5)8-15-10;1-12(2,3)8-5-4-6-9-11(8)14-10(7-15)13-9;1-12(2,3)9-7-15-10-4-8(5-13)6-14-11(9)10;1-9-8-14-7-5-6-10(11(14)13-9)12(2,3)4;1-11(2,3)8-6-14-9-4-7(12)5-13-10(8)9;1-11(2,3)8-6-12-7-9-10(8)13-14-15(9)4-5-16;1-5-15-9-7-12-6-8(11(2,3)4)10(9)13-14-15;1-11(2,3)9-8-15-10(12-9)13-4-6-14-7-5-13;1-8-6-13-10(14-7-8)9(5-12-13)11(2,3)4;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-10(2,3)7-5-11-6-8-9(7)12-13-14(8)4;1-10(2,3)7-6-11-13-5-4-8(14)12-9(7)13;1-10(2,3)6-4-14-8-7(6)12-5-13-9(8)11;1-10(2,3)7-4-11-5-8-9(7)13-6-12-8;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-10(2,3)8-7-11-12-5-4-6-13-9(8)12/h5-9H,1-4H3,(H,15,16,19);6H,7-8H2,1-5H3;4-6,15H,7H2,1-3H3,(H,13,14);4,6-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;6-7,16H,4-5H2,1-3H3;6-7H,5H2,1-4H3;8H,4-7H2,1-3H3;5,8H,6-7H2,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-6H,1-3H3,(H,12,14);4-5H,1-3H3,(H2,11,12,13);4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3
InChIKeyBTNNCIISKFSMBD-UHFFFAOYSA-N
MW3441.14 g/mol
LogP41.03
Rot. Bonds7

About (4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol

(4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol (PubChem CID 157457485) has the molecular formula C188H257ClN44O9S4 and a molecular weight of 3441.14 g/mol. Its IUPAC name is (4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol.

Molecular Properties

Compound Name(4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol
PubChem CID157457485
Molecular FormulaC188H257ClN44O9S4
Molecular Weight3441.14 g/mol
Exact Mass3437.96
IUPAC Name(4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol
SMILESCC(=O)Nc1cc(-n2ccc(C(C)(C)C)n2)ccn1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cccc2[nH]c(CO)nc12.CC(C)(C)c1cccc2n[nH]nc12.CC(C)(C)c1cncc2[nH]cnc12.CC(C)(C)c1cncc2c1nnn2CCO.CC(C)(C)c1cnn2c1OCCC2.CC(C)(C)c1cnn2ccc(=O)[nH]c12.CC(C)(C)c1csc(N2CCOCC2)n1.CC(C)(C)c1csc2c(N)ncnc12.CC(C)(C)c1csc2cc(C#N)cnc12.CC(C)(C)c1csc2cc(Cl)cnc12.CC1(C)COc2cc(C(C)(C)C)nn2C1.CC1COc2c(C(C)(C)C)cnn2C1.CCn1nnc2c(C(C)(C)C)cncc21.Cc1cn2cccc(C(C)(C)C)c2n1.Cn1nnc2c(C(C)(C)C)cncc21
InChIInChI=1S/C14H18N4O.C12H20N2O.C12H16N2O.C12H12N2S.C12H16N2.C11H12ClNS.C11H16N4O.C11H16N4.C11H18N2OS.C11H18N2O.C11H13NO.C10H14N4.C10H13N3O.C10H13N3S.2C10H13N3.C10H16N2O/c1-10(19)16-13-9-11(5-7-15-13)18-8-6-12(17-18)14(2,3)4;1-11(2,3)9-6-10-14(13-9)7-12(4,5)8-15-10;1-12(2,3)8-5-4-6-9-11(8)14-10(7-15)13-9;1-12(2,3)9-7-15-10-4-8(5-13)6-14-11(9)10;1-9-8-14-7-5-6-10(11(14)13-9)12(2,3)4;1-11(2,3)8-6-14-9-4-7(12)5-13-10(8)9;1-11(2,3)8-6-12-7-9-10(8)13-14-15(9)4-5-16;1-5-15-9-7-12-6-8(11(2,3)4)10(9)13-14-15;1-11(2,3)9-8-15-10(12-9)13-4-6-14-7-5-13;1-8-6-13-10(14-7-8)9(5-12-13)11(2,3)4;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-10(2,3)7-5-11-6-8-9(7)12-13-14(8)4;1-10(2,3)7-6-11-13-5-4-8(14)12-9(7)13;1-10(2,3)6-4-14-8-7(6)12-5-13-9(8)11;1-10(2,3)7-4-11-5-8-9(7)13-6-12-8;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-10(2,3)8-7-11-12-5-4-6-13-9(8)12/h5-9H,1-4H3,(H,15,16,19);6H,7-8H2,1-5H3;4-6,15H,7H2,1-3H3,(H,13,14);4,6-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;6-7,16H,4-5H2,1-3H3;6-7H,5H2,1-4H3;8H,4-7H2,1-3H3;5,8H,6-7H2,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-6H,1-3H3,(H,12,14);4-5H,1-3H3,(H2,11,12,13);4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3
InChIKeyBTNNCIISKFSMBD-UHFFFAOYSA-N
XLogP41.03
TPSA644.26 Ų
H-Bond Donors8
H-Bond Acceptors52
Rotatable Bonds7
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003441.14
LogP ≤ 541.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1052

Analyze (4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
butanenitrile;3-tert-butyl-5-methyl-1H-pyrazole;2-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;N,4-dimethylpyridine-2-carboxamide;3-(furan-2-yl)-5-methyl-1H-pyrazole;5-isocyano-2-methyl-1H-imidazole-4-carbonitrile;2-methoxy-5-methylpyridine;2-methyl-1H-benzimidazole;(3-methylcyclobutyl)methanol;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;6-methylpyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)acetamide;1-methylpyrrole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine
CID 158173865
1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);1-methylpyrrolo[2,3-c]pyridine;1-propylpyrazole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158201797
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;2-tert-butyl-6-propan-2-yloxypyridine;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 160072421
butanenitrile;2-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,4-dimethyl-1,3-oxazole;N,4-dimethylpyridine-2-carboxamide;5-isocyano-2-methyl-1H-imidazole-4-carbonitrile;2-methoxy-5-methylpyridine;2-methyl-1H-benzimidazole;(3-methylcyclobutyl)methanol;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;6-methylpyridine-3-carbonitrile;6-methylpyridine-3-carboxamide;N-(5-methyl-2-pyridinyl)acetamide;1-methylpyrrole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine
CID 160238592
4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine
CID 161129238
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-methyl-1H-pyrazole;2-methylpyrazolo[1,5-a]pyridine
CID 157085631
bis(5H-cyclopenta[c]pyridazine);icosakis(2,2-dimethylpropane);furo[2,3-c]pyridazine;bis(furo[3,2-c]pyridazine);bis([1,3]oxazolo[4,5-c]pyridazine);bis([1,3]oxazolo[5,4-c]pyridazine);bis(5H-pyrrolo[2,3-c]pyridazine);bis(7H-pyrrolo[2,3-c]pyridazine);bis([1,3]thiazolo[4,5-c]pyridazine);bis([1,3]thiazolo[5,4-c]pyridazine);thieno[2,3-c]pyridazine;bis(thieno[3,2-c]pyridazine)
CID 157118018
CID 157179881
CID 157179881
6-tert-butyl-5H-cyclopenta[c]pyridazine;5-tert-butylfuro[3,4-b]pyrazine;6-tert-butylfuro[2,3-b]pyrazine;6-tert-butylfuro[2,3-c]pyridazine;6-tert-butylfuro[3,2-c]pyridazine;7-tert-butylfuro[3,4-c]pyridazine;2-tert-butylfuro[2,3-d]pyridazine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[5,4-c]pyridine;bis(3-tert-butyl-2H-pyrazolo[3,4-c]pyridine);6-tert-butylpyrrolo[3,4-b]pyrazine;6-tert-butylpyrrolo[3,4-c]pyridazine;6-tert-butyl-7H-pyrrolo[2,3-c]pyridazine;2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine;3-tert-butyl-[1,2]thiazolo[3,4-c]pyridine;3-tert-butyl-[1,2]thiazolo[5,4-c]pyridine;5-tert-butylthieno[3,4-b]pyrazine;6-tert-butylthieno[2,3-b]pyrazine;6-tert-butylthieno[2,3-c]pyridazine;6-tert-butylthieno[3,2-c]pyridazine;7-tert-butylthieno[3,4-c]pyridazine;2-tert-butylthieno[2,3-d]pyridazine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine
CID 157204990
6-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;3-tert-butylthieno[2,3-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157233694

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol?
The IUPAC name of (4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol (CID 157457485) is (4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol.
What is the SMILES notation for (4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol?
The canonical SMILES for (4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol is CC(=O)Nc1cc(-n2ccc(C(C)(C)C)n2)ccn1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cccc2[nH]c(CO)nc12.CC(C)(C)c1cccc2n[nH]nc12.CC(C)(C)c1cncc2[nH]cnc12.CC(C)(C)c1cncc2c1nnn2CCO.CC(C)(C)c1cnn2c1OCCC2.CC(C)(C)c1cnn2ccc(=O)[nH]c12.CC(C)(C)c1csc(N2CCOCC2)n1.CC(C)(C)c1csc2c(N)ncnc12.CC(C)(C)c1csc2cc(C#N)cnc12.CC(C)(C)c1csc2cc(Cl)cnc12.CC1(C)COc2cc(C(C)(C)C)nn2C1.CC1COc2c(C(C)(C)C)cnn2C1.CCn1nnc2c(C(C)(C)C)cncc21.Cc1cn2cccc(C(C)(C)C)c2n1.Cn1nnc2c(C(C)(C)C)cncc21.
What is the InChIKey of (4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol?
The InChIKey is BTNNCIISKFSMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.C12H20N2O.C12H16N2O.C12H12N2S.C12H16N2.C11H12ClNS.C11H16N4O.C11H16N4.C11H18N2OS.C11H18N2O.C11H13NO.C10H14N4.C10H13N3O.C10H13N3S.2C10H13N3.C10H16N2O/c1-10(19)16-13-9-11(5-7-15-13)18-8-6-12(17-18)14(2,3)4;1-11(2,3)9-6-10-14(13-9)7-12(4,5)8-15-10;1-12(2,3)8-5-4-6-9-11(8)14-10(7-15)13-9;1-12(2,3)9-7-15-10-4-8(5-13)6-14-11(9)10;1-9-8-14-7-5-6-10(11(14)13-9)12(2,3)4;1-11(2,3)8-6-14-9-4-7(12)5-13-10(8)9;1-11(2,3)8-6-12-7-9-10(8)13-14-15(9)4-5-16;1-5-15-9-7-12-6-8(11(2,3)4)10(9)13-14-15;1-11(2,3)9-8-15-10(12-9)13-4-6-14-7-5-13;1-8-6-13-10(14-7-8)9(5-12-13)11(2,3)4;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-10(2,3)7-5-11-6-8-9(7)12-13-14(8)4;1-10(2,3)7-6-11-13-5-4-8(14)12-9(7)13;1-10(2,3)6-4-14-8-7(6)12-5-13-9(8)11;1-10(2,3)7-4-11-5-8-9(7)13-6-12-8;1-10(2,3)7-5-4-6-8-9(7)12-13-11-8;1-10(2,3)8-7-11-12-5-4-6-13-9(8)12/h5-9H,1-4H3,(H,15,16,19);6H,7-8H2,1-5H3;4-6,15H,7H2,1-3H3,(H,13,14);4,6-7H,1-3H3;5-8H,1-4H3;4-6H,1-3H3;6-7,16H,4-5H2,1-3H3;6-7H,5H2,1-4H3;8H,4-7H2,1-3H3;5,8H,6-7H2,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-6H,1-3H3,(H,12,14);4-5H,1-3H3,(H2,11,12,13);4-6H,1-3H3,(H,12,13);4-6H,1-3H3,(H,11,12,13);7H,4-6H2,1-3H3.
What are the key properties of (4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol?
(4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol has a molecular weight of 3441.14 g/mol, XLogP of 41.03, 7 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol is sourced from PubChem (CID 157457485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).