2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane

C161H277N27O3S4 — CID 158058191

IUPAC2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1=NCC=C1.CC(C)(C)c1c[nH]c2cccnc12.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc[nH]c1=O.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccccn1.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1ccon1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncns1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1
InChIInChI=1S/2C13H15N.3C11H14N2.C9H13NO.C9H13N.C8H13N.2C7H12N2.C7H11NO.2C7H11NS.C6H11N3.C6H10N2O.2C6H10N2S.17CH4/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-9(2,3)7-5-4-6-10-8(7)11;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;2*1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-8-9-5;;;;;;;;;;;;;;;;;/h2*4-9H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,10,11);4-7H,1-3H3;4-5H,6H2,1-3H3;2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);3*4H,1-3H3;17*1H4
InChIKeyFKIBQSNDNMVXHT-UHFFFAOYSA-N
MW2767.44 g/mol
LogP48.73
Rot. Bonds

About 2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane

2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane (PubChem CID 158058191) has the molecular formula C161H277N27O3S4 and a molecular weight of 2767.44 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane
PubChem CID158058191
Molecular FormulaC161H277N27O3S4
Molecular Weight2767.44 g/mol
Exact Mass2765.12
IUPAC Name2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1=NCC=C1.CC(C)(C)c1c[nH]c2cccnc12.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc[nH]c1=O.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccccn1.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1ccon1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncns1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1
InChIInChI=1S/2C13H15N.3C11H14N2.C9H13NO.C9H13N.C8H13N.2C7H12N2.C7H11NO.2C7H11NS.C6H11N3.C6H10N2O.2C6H10N2S.17CH4/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-9(2,3)7-5-4-6-10-8(7)11;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;2*1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-8-9-5;;;;;;;;;;;;;;;;;/h2*4-9H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,10,11);4-7H,1-3H3;4-5H,6H2,1-3H3;2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);3*4H,1-3H3;17*1H4
InChIKeyFKIBQSNDNMVXHT-UHFFFAOYSA-N
XLogP48.73
TPSA399.77 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002767.44
LogP ≤ 548.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane with MolForge

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Related Compounds

ethane;isoquinoline;bis(2-methylpropane);bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-diaza-3-azanidacyclopenta-1,4-diene;4-propan-2-yl-1,3-diaza-2-azanidacyclopenta-3,5-diene;4-propan-2-yl-2,3-diaza-1-azanidacyclopenta-2,4-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;5-propan-2-yl-1,2,4-triaza-3-azanidacyclopenta-1,4-diene;quinoline;pentakis(rubidium(1+))
CID 157097324
tert-butylbenzene;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole
CID 157121562
1-benzothiophene;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;1H-indazole;2H-indene;1H-indole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyrimidine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
CID 157229700
1H-benzimidazole;1-benzofuran;ethane;furan;imidazo[2,1-a]isoquinoline;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinazoline;imidazo[1,2-b]isoquinoline;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157473083
1,3-benzothiazole;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-b]pyridazine;1H-indazole;2H-indene;1H-indole;1,2-oxazole;pyrazine;pyrazolo[1,5-a]pyrimidine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
CID 157483972
1H-benzimidazole;7H-cyclopenta[b]pyridine;ethane;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-a]quinoline;imidazo[1,2-b][1,2,4]benzotriazine;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indene;2H-isoindole;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;oxatriazole;1,2,3,5-oxatriazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;thiatriazole;1,2,3,5-thiatriazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157589638
2-methyl-1,3-benzothiazole;1-methylimidazole;2-methylnaphthalene;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
CID 157757039
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole
CID 157766823
benzene;bis(1H-benzimidazole);1,3-benzothiazole;bis(1-benzothiophene);1,2-benzoxazole;ethane;1H-imidazole;bis(1H-indazole);bis(1H-indole);2-methyl-1,3-benzothiazole;3-methyl-1,2-benzoxazole;2-methyl-[1,3]thiazolo[4,5-b]pyrazine;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;naphthalene;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;1H-pyrrole;quinoline;1,3-thiazole;bis(thieno[2,3-b]pyrazine);bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thiophene
CID 157850467
1H-benzimidazole;ethane;furan;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(1H-imidazo[4,5-b]pyridine);bis(imidazo[1,2-b][1,2,4]triazine);imidazo[1,2-c]pyrimidine;imidazo[2,1-c][1,2,4]triazine;imidazo[2,1-f][1,2,4]triazine;1H-imidazole;1H-indazole;1H-indole;2H-isoindole;oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;2H-tetrazole;thiadiazole;1,2,5-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157851928
3-methylcinnoline;1-methylimidazole;2-methyl-1H-imidazole;3-methyl-2H-indazole;2-methyl-1,8-naphthyridine;1-methylphthalazine;2-methylpteridine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyridazine;2-methylpyrimidine;2-methylquinazoline;2-methylquinoxaline;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
CID 157863458
cumene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;2-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 157949668

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane (CID 158058191) is 2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C1=NCC=C1.CC(C)(C)c1c[nH]c2cccnc12.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc[nH]c1=O.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccccn1.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1ccon1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1nccs1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncns1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane?
The InChIKey is FKIBQSNDNMVXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N.3C11H14N2.C9H13NO.C9H13N.C8H13N.2C7H12N2.C7H11NO.2C7H11NS.C6H11N3.C6H10N2O.2C6H10N2S.17CH4/c1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-9(2,3)7-5-4-6-10-8(7)11;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;2*1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-8-9-5;;;;;;;;;;;;;;;;;/h2*4-9H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,10,11);4-7H,1-3H3;4-5H,6H2,1-3H3;2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);3*4H,1-3H3;17*1H4.
What are the key properties of 2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane?
2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane has a molecular weight of 2767.44 g/mol, XLogP of 48.73, 0 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;3-tert-butylisoquinoline;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-2H-pyrrole;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;8-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1H-1,2,4-triazole;methane is sourced from PubChem (CID 158058191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).