1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane

C248H369N27 — CID 158443091

IUPAC1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane
SMILESC.C.C.CC(C)(C)c1[nH]c2ccccc2c1C(C)(C)C.CC(C)(C)c1[nH]c2cccnc2c1C(C)(C)C.CC(C)(C)c1cc2[nH]ccc2nc1C(C)(C)C.CC(C)(C)c1cc2ccccc2n1C(C)(C)C.CC(C)(C)c1cc2ccccc2n1C(C)(C)C.CC(C)(C)c1cc2cn[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2nc[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2ncccc2n1C(C)(C)C.CC(C)(C)c1ccc2[nH]cnc2c1C(C)(C)C.CC(C)(C)c1ccc2[nH]ncc2c1C(C)(C)C.CC(C)(C)c1ccc2cccn2c1C(C)(C)C.CC(C)(C)c1ccc2cn[nH]c2c1C(C)(C)C.CC(C)(C)c1cn2ccccc2c1C(C)(C)C.CC(C)(C)c1cnc2cc[nH]c2c1C(C)(C)C.CC(C)(C)c1nc2ccccc2n1C(C)(C)C.CC(C)(C)c1ncc2cc[nH]c2c1C(C)(C)C
InChIInChI=1S/5C16H23N.11C15H22N2.3CH4/c1-15(2,3)13-10-9-12-8-7-11-17(12)14(13)16(4,5)6;1-15(2,3)12-11-17-10-8-7-9-13(17)14(12)16(4,5)6;2*1-15(2,3)14-11-12-9-7-8-10-13(12)17(14)16(4,5)6;1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)11-7-10-9-16-17-13(10)8-12(11)15(4,5)6;1-14(2,3)10-9-17-11-7-8-16-13(11)12(10)15(4,5)6;1-14(2,3)10-9-12-11(7-8-16-12)17-13(10)15(4,5)6;1-14(2,3)11-7-8-12-10(9-16-17-12)13(11)15(4,5)6;1-14(2,3)10-7-8-11-13(17-9-16-11)12(10)15(4,5)6;1-14(2,3)11-12-10(7-8-16-12)9-17-13(11)15(4,5)6;1-14(2,3)11-8-7-10-9-16-17-13(10)12(11)15(4,5)6;1-14(2,3)13-10-11-12(8-7-9-16-11)17(13)15(4,5)6;1-14(2,3)11-12-10(8-7-9-16-12)17-13(11)15(4,5)6;1-14(2,3)13-16-11-9-7-8-10-12(11)17(13)15(4,5)6;;;/h4*7-11H,1-6H3;7-10,17H,1-6H3;2*7-9H,1-6H3,(H,16,17);2*7-9,16H,1-6H3;2*7-9H,1-6H3,(H,16,17);7-9,16H,1-6H3;7-9H,1-6H3,(H,16,17);7-10H,1-6H3;7-9,17H,1-6H3;7-10H,1-6H3;3*1H4
InChIKeyHDBCNHHTPDEDRZ-UHFFFAOYSA-N
MW3728.87 g/mol
LogP70.73
Rot. Bonds

About 1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane

1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane (PubChem CID 158443091) has the molecular formula C248H369N27 and a molecular weight of 3728.87 g/mol. Its IUPAC name is 1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane.

Molecular Properties

Compound Name1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane
PubChem CID158443091
Molecular FormulaC248H369N27
Molecular Weight3728.87 g/mol
Exact Mass3725.97
IUPAC Name1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane
SMILESC.C.C.CC(C)(C)c1[nH]c2ccccc2c1C(C)(C)C.CC(C)(C)c1[nH]c2cccnc2c1C(C)(C)C.CC(C)(C)c1cc2[nH]ccc2nc1C(C)(C)C.CC(C)(C)c1cc2ccccc2n1C(C)(C)C.CC(C)(C)c1cc2ccccc2n1C(C)(C)C.CC(C)(C)c1cc2cn[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2nc[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2ncccc2n1C(C)(C)C.CC(C)(C)c1ccc2[nH]cnc2c1C(C)(C)C.CC(C)(C)c1ccc2[nH]ncc2c1C(C)(C)C.CC(C)(C)c1ccc2cccn2c1C(C)(C)C.CC(C)(C)c1ccc2cn[nH]c2c1C(C)(C)C.CC(C)(C)c1cn2ccccc2c1C(C)(C)C.CC(C)(C)c1cnc2cc[nH]c2c1C(C)(C)C.CC(C)(C)c1nc2ccccc2n1C(C)(C)C.CC(C)(C)c1ncc2cc[nH]c2c1C(C)(C)C
InChIInChI=1S/5C16H23N.11C15H22N2.3CH4/c1-15(2,3)13-10-9-12-8-7-11-17(12)14(13)16(4,5)6;1-15(2,3)12-11-17-10-8-7-9-13(17)14(12)16(4,5)6;2*1-15(2,3)14-11-12-9-7-8-10-13(12)17(14)16(4,5)6;1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)11-7-10-9-16-17-13(10)8-12(11)15(4,5)6;1-14(2,3)10-9-17-11-7-8-16-13(11)12(10)15(4,5)6;1-14(2,3)10-9-12-11(7-8-16-12)17-13(10)15(4,5)6;1-14(2,3)11-7-8-12-10(9-16-17-12)13(11)15(4,5)6;1-14(2,3)10-7-8-11-13(17-9-16-11)12(10)15(4,5)6;1-14(2,3)11-12-10(7-8-16-12)9-17-13(11)15(4,5)6;1-14(2,3)11-8-7-10-9-16-17-13(10)12(11)15(4,5)6;1-14(2,3)13-10-11-12(8-7-9-16-11)17(13)15(4,5)6;1-14(2,3)11-12-10(8-7-9-16-12)17-13(11)15(4,5)6;1-14(2,3)13-16-11-9-7-8-10-12(11)17(13)15(4,5)6;;;/h4*7-11H,1-6H3;7-10,17H,1-6H3;2*7-9H,1-6H3,(H,16,17);2*7-9,16H,1-6H3;2*7-9H,1-6H3,(H,16,17);7-9,16H,1-6H3;7-9H,1-6H3,(H,16,17);7-10H,1-6H3;7-9,17H,1-6H3;7-10H,1-6H3;3*1H4
InChIKeyHDBCNHHTPDEDRZ-UHFFFAOYSA-N
XLogP70.73
TPSA328.23 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003728.87
LogP ≤ 570.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze 1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane with MolForge

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Related Compounds

1H-benzimidazole;2,1,3-benzothiadiazole;tetrakis(2,2-dimethylpropane);imidazo[1,5-a]pyridine;1H-indazole
CID 162059832
benzene;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,2-benzoxazole;(1-tert-butylcyclopropyl)benzene;1-tert-butylimidazo[1,5-a]pyridine;6-tert-butyl-1H-indole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;2-methylidene-1H-pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;2H-pyrrole
CID 163555103
bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline
CID 160597576
5,6-ditert-butyl-3a,7a-dihydro-1,3-benzoxazole;5,6-ditert-butylimidazo[1,2-a]pyridine;6,7-ditert-butylimidazo[1,2-a]pyridine;7,8-ditert-butylimidazo[1,5-c]pyrimidine;1,2-ditert-butylindolizine;6,7-ditert-butylpyrazolo[1,5-a]pyrazine;2,3-ditert-butylpyrazolo[1,5-a]pyridine;7,8-ditert-butylpyrrolo[1,2-a]pyrimidine;5,6-ditert-butylpyrrolo[1,2-b]pyridazine;5,6-ditert-butyltriazolo[1,5-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 158011524
3-tert-butyl-2,4-dimethylpyrazolo[1,5-a]pyridine;3-tert-butyl-2H-indazole;7-tert-butyl-1H-indazole;6-tert-butyl-2-methylimidazo[1,2-b]pyridazine;3-tert-butyl-1-methylindazole;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2-methylpyrazolo[1,5-b]pyridazine;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;3-tert-butyltriazolo[1,5-a]pyridine;2,2-dimethylpropane;ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 167697794
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;2-tert-butylquinoline;8-tert-butylquinoline
CID 158687537
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
CID 165099029
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;furan;1H-imidazole;1H-indole;1,6-naphthyridine;1,3-oxazole;1H-phenanthro[9,10-d]imidazole;propane;pyridine;pyrido[1,2-a]benzimidazole;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole
CID 159101824
4-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;bis(4-tert-butylisoquinoline);5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;4-tert-butyl-1H-quinolin-2-one;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;cumene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 162034077
4-tert-butyl-7aH-triazolo[4,5-c]pyridine;4-tert-butylfuro[3,2-c]pyridine;7-tert-butylfuro[2,3-c]pyridine;8-tert-butylimidazo[1,2-a]pyrazine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;8-tert-butyl-1,7-naphthyridine;2-tert-butylpyrazine;3-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[3,2-c]pyridine;4-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;4-tert-butylthieno[3,2-c]pyridine;7-tert-butylthieno[2,3-c]pyridine
CID 159133633
2,3-ditert-butyl-1H-indole
CID 22374639
6-tert-butyl-1H-imidazo[4,5-b]pyridine;7-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butylimidazo[4,5-c]pyridine;4-tert-butyl-1H-imidazo[4,5-c]pyridine;5-tert-butylimidazo[4,5-c]pyridine;6-tert-butyl-3H-imidazo[4,5-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;4-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyrazolo[1,5-a]pyridine;7-tert-butylpyrazolo[1,5-a]pyridine;2-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butylpyrazolo[1,5-a]pyrimidine
CID 167613975

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane?
The IUPAC name of 1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane (CID 158443091) is 1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane.
What is the SMILES notation for 1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane?
The canonical SMILES for 1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane is C.C.C.CC(C)(C)c1[nH]c2ccccc2c1C(C)(C)C.CC(C)(C)c1[nH]c2cccnc2c1C(C)(C)C.CC(C)(C)c1cc2[nH]ccc2nc1C(C)(C)C.CC(C)(C)c1cc2ccccc2n1C(C)(C)C.CC(C)(C)c1cc2ccccc2n1C(C)(C)C.CC(C)(C)c1cc2cn[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2nc[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2ncccc2n1C(C)(C)C.CC(C)(C)c1ccc2[nH]cnc2c1C(C)(C)C.CC(C)(C)c1ccc2[nH]ncc2c1C(C)(C)C.CC(C)(C)c1ccc2cccn2c1C(C)(C)C.CC(C)(C)c1ccc2cn[nH]c2c1C(C)(C)C.CC(C)(C)c1cn2ccccc2c1C(C)(C)C.CC(C)(C)c1cnc2cc[nH]c2c1C(C)(C)C.CC(C)(C)c1nc2ccccc2n1C(C)(C)C.CC(C)(C)c1ncc2cc[nH]c2c1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane?
The InChIKey is HDBCNHHTPDEDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C16H23N.11C15H22N2.3CH4/c1-15(2,3)13-10-9-12-8-7-11-17(12)14(13)16(4,5)6;1-15(2,3)12-11-17-10-8-7-9-13(17)14(12)16(4,5)6;2*1-15(2,3)14-11-12-9-7-8-10-13(12)17(14)16(4,5)6;1-15(2,3)13-11-9-7-8-10-12(11)17-14(13)16(4,5)6;1-14(2,3)10-7-12-13(17-9-16-12)8-11(10)15(4,5)6;1-14(2,3)11-7-10-9-16-17-13(10)8-12(11)15(4,5)6;1-14(2,3)10-9-17-11-7-8-16-13(11)12(10)15(4,5)6;1-14(2,3)10-9-12-11(7-8-16-12)17-13(10)15(4,5)6;1-14(2,3)11-7-8-12-10(9-16-17-12)13(11)15(4,5)6;1-14(2,3)10-7-8-11-13(17-9-16-11)12(10)15(4,5)6;1-14(2,3)11-12-10(7-8-16-12)9-17-13(11)15(4,5)6;1-14(2,3)11-8-7-10-9-16-17-13(10)12(11)15(4,5)6;1-14(2,3)13-10-11-12(8-7-9-16-11)17(13)15(4,5)6;1-14(2,3)11-12-10(8-7-9-16-12)17-13(11)15(4,5)6;1-14(2,3)13-16-11-9-7-8-10-12(11)17(13)15(4,5)6;;;/h4*7-11H,1-6H3;7-10,17H,1-6H3;2*7-9H,1-6H3,(H,16,17);2*7-9,16H,1-6H3;2*7-9H,1-6H3,(H,16,17);7-9,16H,1-6H3;7-9H,1-6H3,(H,16,17);7-10H,1-6H3;7-9,17H,1-6H3;7-10H,1-6H3;3*1H4.
What are the key properties of 1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane?
1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane has a molecular weight of 3728.87 g/mol, XLogP of 70.73, 0 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butylbenzimidazole;4,5-ditert-butyl-1H-benzimidazole;5,6-ditert-butyl-1H-benzimidazole;4,5-ditert-butyl-1H-indazole;5,6-ditert-butyl-1H-indazole;6,7-ditert-butyl-1H-indazole;bis(1,2-ditert-butylindole);2,3-ditert-butyl-1H-indole;1,2-ditert-butylindolizine;5,6-ditert-butylindolizine;1,2-ditert-butylpyrrolo[3,2-b]pyridine;2,3-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;5,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-b]pyridine;6,7-ditert-butyl-1H-pyrrolo[3,2-c]pyridine;methane is sourced from PubChem (CID 158443091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).