4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane

C273H332N28O4 — CID 160646058

IUPAC4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane
SMILESC.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncncc12.Cn1cnc2c(C(C)(C)C)cccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1cnc2cccc(C(C)(C)C)c21
InChIInChI=1S/2C14H16.8C13H15N.4C12H16N2.4C12H14N2.2C11H14N2.2C11H14O2.CH4/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(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)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)9-6-5-7-10-11(9)13-8-14(10)4;1-12(2,3)9-6-5-7-10-11(9)14(4)8-13-10;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)10-5-4-6-11-9(10)7-13-8-14-11;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;/h2*4-10H,1-3H3;8*4-9H,1-3H3;4*5-8H,1-4H3;4*4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);2*4-6H,7H2,1-3H3;1H4
InChIKeyRJUKSSBUXYJCBZ-UHFFFAOYSA-N
MW4069.85 g/mol
LogP71.51
Rot. Bonds

About 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane

4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane (PubChem CID 160646058) has the molecular formula C273H332N28O4 and a molecular weight of 4069.85 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane.

Molecular Properties

Compound Name4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane
PubChem CID160646058
Molecular FormulaC273H332N28O4
Molecular Weight4069.85 g/mol
Exact Mass4066.66
IUPAC Name4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane
SMILESC.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncncc12.Cn1cnc2c(C(C)(C)C)cccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1cnc2cccc(C(C)(C)C)c21
InChIInChI=1S/2C14H16.8C13H15N.4C12H16N2.4C12H14N2.2C11H14N2.2C11H14O2.CH4/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(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)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)9-6-5-7-10-11(9)13-8-14(10)4;1-12(2,3)9-6-5-7-10-11(9)14(4)8-13-10;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)10-5-4-6-11-9(10)7-13-8-14-11;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;/h2*4-10H,1-3H3;8*4-9H,1-3H3;4*5-8H,1-4H3;4*4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);2*4-6H,7H2,1-3H3;1H4
InChIKeyRJUKSSBUXYJCBZ-UHFFFAOYSA-N
XLogP71.51
TPSA371.80 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms305
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004069.85
LogP ≤ 571.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane with MolForge

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Related Compounds

7-(4-Tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;7-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-7-(trifluoromethyl)quinoline;7-(4-phenoxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine;7-(4-propan-2-yloxyphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 157082291
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 159241762
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxyquinazoline-2,4-diamine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-phenylquinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[2-(1H-indol-3-yl)ethyl]-2-isoquinolin-4-yl-6,7-dimethoxyquinazolin-4-amine
CID 159282190
N-(1H-benzimidazol-2-ylmethyl)-2-(4,4-difluoropiperidin-1-yl)-9-(3-methylphenyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-(3-phenylphenyl)purin-6-amine;N-(1,3-benzodioxol-5-ylmethyl)-9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-amine;N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(3-methylphenyl)-2-morpholin-4-ylpurin-6-amine
CID 159931006
2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;4-tert-butyl-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;4-tert-butylquinoline;5-tert-butylquinoline;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 161189138
[3-(3H-benzimidazol-5-yl)-1-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-2-yl]methanol
CID 58064838
9-(3H-benzimidazol-5-yl)-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene
CID 58064852
[4-(3H-benzimidazol-5-yl)-1-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-2-yl]methanol
CID 58064867
11-(3H-benzimidazol-5-yl)-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1,3,8,10,12,14(22),15,17(21),23-nonaene
CID 58064877
[5-(3H-benzimidazol-5-yl)-1-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-2-yl]methanol
CID 58064909
16-(3H-benzimidazol-5-yl)-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene
CID 58064928
[6-(3H-benzimidazol-5-yl)-1-methoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium-2-yl]methanol
CID 58064975

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane?
The IUPAC name of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane (CID 160646058) is 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane.
What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane?
The canonical SMILES for 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane is C.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2cncnc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncncc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCO2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2cncnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1cccc2ncncc12.Cn1cnc2c(C(C)(C)C)cccc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1cnc2cccc(C(C)(C)C)c21.
What is the InChIKey of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane?
The InChIKey is RJUKSSBUXYJCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16.8C13H15N.4C12H16N2.4C12H14N2.2C11H14N2.2C11H14O2.CH4/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(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)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)9-6-5-7-10-11(9)13-8-14(10)4;1-12(2,3)9-6-5-7-10-11(9)14(4)8-13-10;1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11;1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10;1-12(2,3)10-5-4-6-11-9(10)7-13-8-14-11;1-12(2,3)10-6-4-5-9-7-13-8-14-11(9)10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;/h2*4-10H,1-3H3;8*4-9H,1-3H3;4*5-8H,1-4H3;4*4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);2*4-6H,7H2,1-3H3;1H4.
What are the key properties of 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane?
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane has a molecular weight of 4069.85 g/mol, XLogP of 71.51, 0 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinazoline;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline;methane is sourced from PubChem (CID 160646058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).