6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane

C183H298N44S2 — CID 158063087

IUPAC6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane
SMILESC.C.C.C.C.C.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cnccn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1nccs1.CC(C)(C)n1[nH]nnc1=S.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1.Cc1ccc(C(C)(C)C)cn1.Cc1nc(C(C)(C)C)cn1C.Cc1nccn1C(C)(C)C.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnnc1C(C)(C)C
InChIInChI=1S/4C11H14N2.C10H13N3.C10H15N.C9H16N2.C9H15N.C8H14N2.C8H12N2.2C8H14N2.3C8H12N2.C7H13N3.2C7H12N2.C7H11NS.C6H11N3.C5H10N4S.6CH4/c1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-8-5-6-9(7-11-8)10(2,3)4;1-7-10-8(6-11(7)5)9(2,3)4;1-9(2,3)8-6-5-7-10(8)4;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-9-5-6-10(7)4;1-7-9-5-6-10(7)8(2,3)4;2*1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-10-6-7;1-7(2,3)6-9-8-5-10(6)4;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-5(2,3)9-4(10)6-7-8-9;;;;;;/h2*4-7H,1-3H3,(H,12,13);2*4-8H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;6H,1-5H3;5-7H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4-5H,1-3H3;1-3H3,(H,6,8,10);6*1H4
InChIKeyFKWTWBDBDXCULG-UHFFFAOYSA-N
MW3178.84 g/mol
LogP45.36
Rot. Bonds

About 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane

6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane (PubChem CID 158063087) has the molecular formula C183H298N44S2 and a molecular weight of 3178.84 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane
PubChem CID158063087
Molecular FormulaC183H298N44S2
Molecular Weight3178.84 g/mol
Exact Mass3176.41
IUPAC Name6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane
SMILESC.C.C.C.C.C.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cnccn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1nccs1.CC(C)(C)n1[nH]nnc1=S.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1.Cc1ccc(C(C)(C)C)cn1.Cc1nc(C(C)(C)C)cn1C.Cc1nccn1C(C)(C)C.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnnc1C(C)(C)C
InChIInChI=1S/4C11H14N2.C10H13N3.C10H15N.C9H16N2.C9H15N.C8H14N2.C8H12N2.2C8H14N2.3C8H12N2.C7H13N3.2C7H12N2.C7H11NS.C6H11N3.C5H10N4S.6CH4/c1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-8-5-6-9(7-11-8)10(2,3)4;1-7-10-8(6-11(7)5)9(2,3)4;1-9(2,3)8-6-5-7-10(8)4;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-9-5-6-10(7)4;1-7-9-5-6-10(7)8(2,3)4;2*1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-10-6-7;1-7(2,3)6-9-8-5-10(6)4;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-5(2,3)9-4(10)6-7-8-9;;;;;;/h2*4-7H,1-3H3,(H,12,13);2*4-8H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;6H,1-5H3;5-7H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4-5H,1-3H3;1-3H3,(H,6,8,10);6*1H4
InChIKeyFKWTWBDBDXCULG-UHFFFAOYSA-N
XLogP45.36
TPSA481.68 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003178.84
LogP ≤ 545.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane with MolForge

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Related Compounds

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214371
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214376
[4-methyl-1-[3-[4-(1,3-thiazol-2-yl)-2,3-dihydroindol-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
CID 167366331
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-[[3-[7-(5-fluorothiophen-2-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137024832
5-[7-[2-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorothiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]pyridin-3-amine
CID 137108100
N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137156256
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145034290
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 145664888
3-(1H-benzimidazol-2-yl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;N-[[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-cyclopentylmethanamine;3-(1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine;3-methyl-N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 157087490
1H-benzimidazole;1,3-dihydroimidazol-2-one;11,11-dimethylbenzo[c][1]benzazepine;1H-imidazole;isoquinoline;phenanthridine;4-phenylpyridine;1-phenylquinazolin-2-one;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinoline;1,3-thiazole;1,2,4-triazine;1H-1,2,4-triazole;3-(trifluoromethyl)pyridine
CID 157705336
4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methyl-3H-benzimidazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158248038

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane (CID 158063087) is 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane is C.C.C.C.C.C.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cnccn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1nccs1.CC(C)(C)n1[nH]nnc1=S.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1.Cc1ccc(C(C)(C)C)cn1.Cc1nc(C(C)(C)C)cn1C.Cc1nccn1C(C)(C)C.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnnc1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane?
The InChIKey is FKWTWBDBDXCULG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H14N2.C10H13N3.C10H15N.C9H16N2.C9H15N.C8H14N2.C8H12N2.2C8H14N2.3C8H12N2.C7H13N3.2C7H12N2.C7H11NS.C6H11N3.C5H10N4S.6CH4/c1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-8-5-6-9(7-11-8)10(2,3)4;1-7-10-8(6-11(7)5)9(2,3)4;1-9(2,3)8-6-5-7-10(8)4;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-9-5-6-10(7)4;1-7-9-5-6-10(7)8(2,3)4;2*1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-10-6-7;1-7(2,3)6-9-8-5-10(6)4;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-5(2,3)9-4(10)6-7-8-9;;;;;;/h2*4-7H,1-3H3,(H,12,13);2*4-8H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;6H,1-5H3;5-7H,1-4H3;5-6H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4-5H,1-3H3;1-3H3,(H,6,8,10);6*1H4.
What are the key properties of 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane?
6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane has a molecular weight of 3178.84 g/mol, XLogP of 45.36, 0 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,2-dimethylimidazole;3-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-a]pyrimidine;1-tert-butylimidazole;5-tert-butyl-1H-indazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-1-methylpyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(2-tert-butylpyrazine);4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;5-tert-butylpyrimidine;1-tert-butyl-2H-tetrazole-5-thione;2-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;methane is sourced from PubChem (CID 158063087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).