6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine

C135H184ClN19OS4 — CID 161278634

IUPAC6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2c(s1)CCNC2.CC(C)(C)c1cc2c(s1)CNCC2.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2nc(N)[nH]c2c1.CC(C)(C)c1cnc2c(c1)CNC2.CC(C)(C)c1cnc2scc(Cl)c2c1.Cc1cc2[nH]c(C(C)(C)C)cc2cn1.Cc1nc(N)ccc1C(C)(C)C.Cc1nccc2[nH]c(C(C)(C)C)cc12
InChIInChI=1S/C13H19N.2C12H16N2.C11H12ClNS.C11H15N3.C11H16N2.C11H14N2.C11H13NO.C11H17NS.C11H13NS.C11H17NS.C10H16N2/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-8-5-10-9(7-13-8)6-11(14-10)12(2,3)4;1-8-9-7-11(12(2,3)4)14-10(9)5-6-13-8;1-11(2,3)7-4-8-9(12)6-14-10(8)13-5-7;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;4*1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-7-8(10(2,3)4)5-6-9(11)12-7/h4-5,8,14H,6-7,9H2,1-3H3;2*5-7,14H,1-4H3;4-6H,1-3H3;4-6H,1-3H3,(H3,12,13,14);4,6,12H,5,7H2,1-3H3;4-7,13H,1-3H3;4-7H,1-3H3;6,12H,4-5,7H2,1-3H3;4-7H,1-3H3;6,12H,4-5,7H2,1-3H3;5-6H,1-4H3,(H2,11,12)
InChIKeyVETVMDBAUKOBEH-UHFFFAOYSA-N
MW2252.81 g/mol
LogP34.87
Rot. Bonds

About 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine

6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine (PubChem CID 161278634) has the molecular formula C135H184ClN19OS4 and a molecular weight of 2252.81 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
PubChem CID161278634
Molecular FormulaC135H184ClN19OS4
Molecular Weight2252.81 g/mol
Exact Mass2250.35
IUPAC Name6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2c(s1)CCNC2.CC(C)(C)c1cc2c(s1)CNCC2.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2nc(N)[nH]c2c1.CC(C)(C)c1cnc2c(c1)CNC2.CC(C)(C)c1cnc2scc(Cl)c2c1.Cc1cc2[nH]c(C(C)(C)C)cc2cn1.Cc1nc(N)ccc1C(C)(C)C.Cc1nccc2[nH]c(C(C)(C)C)cc12
InChIInChI=1S/C13H19N.2C12H16N2.C11H12ClNS.C11H15N3.C11H16N2.C11H14N2.C11H13NO.C11H17NS.C11H13NS.C11H17NS.C10H16N2/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-8-5-10-9(7-13-8)6-11(14-10)12(2,3)4;1-8-9-7-11(12(2,3)4)14-10(9)5-6-13-8;1-11(2,3)7-4-8-9(12)6-14-10(8)13-5-7;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;4*1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-7-8(10(2,3)4)5-6-9(11)12-7/h4-5,8,14H,6-7,9H2,1-3H3;2*5-7,14H,1-4H3;4-6H,1-3H3;4-6H,1-3H3,(H3,12,13,14);4,6,12H,5,7H2,1-3H3;4-7,13H,1-3H3;4-7H,1-3H3;6,12H,4-5,7H2,1-3H3;4-7H,1-3H3;6,12H,4-5,7H2,1-3H3;5-6H,1-4H3,(H2,11,12)
InChIKeyVETVMDBAUKOBEH-UHFFFAOYSA-N
XLogP34.87
TPSA292.47 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002252.81
LogP ≤ 534.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
2-[5-(1H-benzimidazol-2-yl)-7-(furan-2-yl)-6-(1H-imidazol-2-yl)-1-pyridin-2-yl-4-pyrimidin-2-yl-3-thiophen-2-ylindol-2-yl]quinoline
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[amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium;chromen-2-one;2,3-dichloro-6H-indolo[3,2-b]quinoxaline;5,11-dimethyl-6H-pyrido[4,3-b]carbazole;2-(1,3-dithiol-2-ylidene)-1,3-dithiole;9-phenylxanthen-10-ium;8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
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9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
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CID 157271360
4-bromo-2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;4-bromo-2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;6-tert-butyl-1H-benzimidazol-2-amine;2-tert-butyl-4-chloro-1-methylpyrrolo[2,3-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[2,3-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[2,3-c]pyridine;2-tert-butylfuro[2,3-c]pyridin-5-amine;2-tert-butylfuro[3,2-c]pyridin-6-amine;2-tert-butyl-3-methylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;2-tert-butyl-3-methylthieno[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-4-amine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridin-5-amine;2-tert-butylthieno[2,3-c]pyridin-5-amine;2-tert-butylthieno[3,2-c]pyridin-6-amine
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3-chloro-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylbenzotriazole;1-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;3-methyl-2-propan-2-ylimidazo[4,5-c]pyridine;1-methyl-5-propan-2-ylindazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-ylfuro[3,2-c]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
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5-methyl-2H-benzotriazole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;5-methyl-1H-pyrazolo[4,5-b]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
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CID 157949263
CID 157949263
5-methyl-2H-benzotriazole;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;3-methyl-1H-imidazo[4,5-c]pyridin-3-ium-4-amine;6-methyl-1H-indazole;5-methyl-1H-pyrazolo[4,5-b]pyridine;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;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 158018536
6-tert-butyl-1H-benzimidazole;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chlorocyclohexa-2,4-dien-1-one;3-tert-butyl-5-chloropyridin-2-amine;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;6-tert-butyl-4-methyl-1H-benzimidazole;2-tert-butyl-4-methylcyclohexa-2,4-dien-1-one;3-tert-butyl-5-methylpyridin-2-amine;3-tert-butyl-6-methylpyridin-2-amine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[3,2-b]pyridine
CID 158352346

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine?
The IUPAC name of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine (CID 161278634) is 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine?
The canonical SMILES for 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine is CC(C)(C)c1cc2c(s1)CCNC2.CC(C)(C)c1cc2c(s1)CNCC2.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2nc(N)[nH]c2c1.CC(C)(C)c1cnc2c(c1)CNC2.CC(C)(C)c1cnc2scc(Cl)c2c1.Cc1cc2[nH]c(C(C)(C)C)cc2cn1.Cc1nc(N)ccc1C(C)(C)C.Cc1nccc2[nH]c(C(C)(C)C)cc12.
What is the InChIKey of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine?
The InChIKey is VETVMDBAUKOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.2C12H16N2.C11H12ClNS.C11H15N3.C11H16N2.C11H14N2.C11H13NO.C11H17NS.C11H13NS.C11H17NS.C10H16N2/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-8-5-10-9(7-13-8)6-11(14-10)12(2,3)4;1-8-9-7-11(12(2,3)4)14-10(9)5-6-13-8;1-11(2,3)7-4-8-9(12)6-14-10(8)13-5-7;1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;4*1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-7-8(10(2,3)4)5-6-9(11)12-7/h4-5,8,14H,6-7,9H2,1-3H3;2*5-7,14H,1-4H3;4-6H,1-3H3;4-6H,1-3H3,(H3,12,13,14);4,6,12H,5,7H2,1-3H3;4-7,13H,1-3H3;4-7H,1-3H3;6,12H,4-5,7H2,1-3H3;4-7H,1-3H3;6,12H,4-5,7H2,1-3H3;5-6H,1-4H3,(H2,11,12).
What are the key properties of 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine?
6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine has a molecular weight of 2252.81 g/mol, XLogP of 34.87, 0 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazol-2-amine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butyl-6-methylpyridin-2-amine;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine is sourced from PubChem (CID 161278634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).