6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline

C237H280N34O2S — CID 158704959

IUPAC6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline
SMILESCC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2cccnc2cn1.CC(C)(C)c1cc2ccncc2cn1.CC(C)(C)c1cc2cnccc2cn1.CC(C)(C)c1cc2ncccc2cn1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccncc2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cnccc2n1.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccc2cnsc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1ccc2oncc2c1.CC(C)(C)c1cnc2ccncc2c1.CC(C)(C)c1cnc2cnccc2c1.CC(C)(C)c1ncc2ccccc2n1
InChIInChI=1S/3C13H15N.11C12H14N2.3C11H14N2.2C11H13NO.C11H13NS/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-12(2,3)10-6-9-7-13-5-4-11(9)14-8-10;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)11-6-10-7-13-5-4-9(10)8-14-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)11-6-9-4-5-13-7-10(9)8-14-11;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11;1-12(2,3)11-5-4-9-6-7-13-8-10(9)14-11;1-12(2,3)11-7-10-9(8-14-11)5-4-6-13-10;1-12(2,3)11-7-9-5-4-6-13-10(9)8-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;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;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h3*4-9H,1-3H3;11*4-8H,1-3H3;3*4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3
InChIKeyIHZQCQDEPMMUOB-UHFFFAOYSA-N
MW3669.15 g/mol
LogP61.22
Rot. Bonds

About 6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline

6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline (PubChem CID 158704959) has the molecular formula C237H280N34O2S and a molecular weight of 3669.15 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline
PubChem CID158704959
Molecular FormulaC237H280N34O2S
Molecular Weight3669.15 g/mol
Exact Mass3666.26
IUPAC Name6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline
SMILESCC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2cccnc2cn1.CC(C)(C)c1cc2ccncc2cn1.CC(C)(C)c1cc2cnccc2cn1.CC(C)(C)c1cc2ncccc2cn1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccncc2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cnccc2n1.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccc2cnsc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1ccc2oncc2c1.CC(C)(C)c1cnc2ccncc2c1.CC(C)(C)c1cnc2cnccc2c1.CC(C)(C)c1ncc2ccccc2n1
InChIInChI=1S/3C13H15N.11C12H14N2.3C11H14N2.2C11H13NO.C11H13NS/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-12(2,3)10-6-9-7-13-5-4-11(9)14-8-10;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)11-6-10-7-13-5-4-9(10)8-14-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)11-6-9-4-5-13-7-10(9)8-14-11;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11;1-12(2,3)11-5-4-9-6-7-13-8-10(9)14-11;1-12(2,3)11-7-10-9(8-14-11)5-4-6-13-10;1-12(2,3)11-7-9-5-4-6-13-10(9)8-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;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;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h3*4-9H,1-3H3;11*4-8H,1-3H3;3*4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3
InChIKeyIHZQCQDEPMMUOB-UHFFFAOYSA-N
XLogP61.22
TPSA473.24 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003669.15
LogP ≤ 561.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline with MolForge

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Launch Full Analysis

Related Compounds

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
CID 167564541
CID 167564541
3-[5-(1H-benzimidazol-2-yl)-3-(1,2-benzothiazol-3-yl)-2-(1H-indazol-3-yl)-1H-indol-4-yl]-1,2-benzoxazole
CID 140968612
3-[4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-6-pyridin-2-yl-1-quinolin-2-yl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)isoquinolin-3-yl]-1,2-benzoxazole
CID 141151178
3-(1H-benzimidazol-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-6-pyrazin-2-yl-7-pyrimidin-2-yl-1,2-benzoxazole
CID 141208977
5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindol-1-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157061307
6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157106826
3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 157117987
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
2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methyl-1H-indol-7-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;7-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157201614
3-amino-7-propan-2-yl-8H-[1,2]oxazolo[5,4-f]quinazolin-9-one;7-amino-3-propan-2-yl-2H-pyrido[4,3-f]quinazolin-1-one;3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one;1,1-dioxo-3-propan-2-yl-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-8-amine;4-oxo-2-propan-2-yl-3H-quinazoline-6-carboximidamide;2-propan-2-yl-3H-benzimidazole-5-carboximidamide;6-propan-2-yl-2H-imidazo[4,5-f][1,2]benzoxazol-3-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2-propan-2-yl-6-(1H-pyrazol-5-yl)-3H-quinazolin-4-one
CID 157229215
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane
CID 157279739

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline (CID 158704959) is 6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline is CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2cccnc2cn1.CC(C)(C)c1cc2ccncc2cn1.CC(C)(C)c1cc2cnccc2cn1.CC(C)(C)c1cc2ncccc2cn1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ccncc2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cnccc2n1.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccc2cnsc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1ccc2oncc2c1.CC(C)(C)c1cnc2ccncc2c1.CC(C)(C)c1cnc2cnccc2c1.CC(C)(C)c1ncc2ccccc2n1.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline?
The InChIKey is IHZQCQDEPMMUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H15N.11C12H14N2.3C11H14N2.2C11H13NO.C11H13NS/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-12(2,3)10-6-9-7-13-5-4-11(9)14-8-10;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)11-6-10-7-13-5-4-9(10)8-14-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)11-6-9-4-5-13-7-10(9)8-14-11;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11;1-12(2,3)11-5-4-9-6-7-13-8-10(9)14-11;1-12(2,3)11-7-10-9(8-14-11)5-4-6-13-10;1-12(2,3)11-7-9-5-4-6-13-10(9)8-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;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;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h3*4-9H,1-3H3;11*4-8H,1-3H3;3*4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3.
What are the key properties of 6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline?
6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline has a molecular weight of 3669.15 g/mol, XLogP of 61.22, 0 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;2-tert-butyl-1,7-naphthyridine;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,7-naphthyridine;3-tert-butyl-2,6-naphthyridine;3-tert-butyl-2,7-naphthyridine;6-tert-butyl-1,7-naphthyridine;7-tert-butyl-1,6-naphthyridine;2-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline is sourced from PubChem (CID 158704959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).