2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene

C224H326N26O2S8 — CID 158164166

IUPAC2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1cc2n(n1)CCOC2.CC(C)(C)c1cc2ncccc2s1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn2ncnc2c1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2ccncc2s1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1noc2ccccc12.Cc1cc2ccccc2s1
InChIInChI=1S/C13H15N.C13H16.C12H14N2.C12H15N.C12H17N.C12H14S.C11H18N2.C11H14N2.C11H13NO.2C11H13NS.2C11H17NS.2C10H13N3.C10H16N2O.2C10H12N2S.C9H8S.14CH4/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-6-8-7-13-5-4-12(8)11-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-7-6-8-4-2-3-5-9(8)10-7;;;;;;;;;;;;;;/h4-9H,1-3H3;4,6-9H,5H2,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3;2*4-7H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);6H,4-5,7H2,1-3H3;2*4-6H,1-3H3;2-6H,1H3;14*1H4
InChIKeyFWQHDVGOUBZWRO-UHFFFAOYSA-N
MW3671.79 g/mol
LogP66.82
Rot. Bonds

About 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene (PubChem CID 158164166) has the molecular formula C224H326N26O2S8 and a molecular weight of 3671.79 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene
PubChem CID158164166
Molecular FormulaC224H326N26O2S8
Molecular Weight3671.79 g/mol
Exact Mass3668.40
IUPAC Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1cc2n(n1)CCOC2.CC(C)(C)c1cc2ncccc2s1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn2ncnc2c1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2ccncc2s1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1noc2ccccc12.Cc1cc2ccccc2s1
InChIInChI=1S/C13H15N.C13H16.C12H14N2.C12H15N.C12H17N.C12H14S.C11H18N2.C11H14N2.C11H13NO.2C11H13NS.2C11H17NS.2C10H13N3.C10H16N2O.2C10H12N2S.C9H8S.14CH4/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-6-8-7-13-5-4-12(8)11-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-7-6-8-4-2-3-5-9(8)10-7;;;;;;;;;;;;;;/h4-9H,1-3H3;4,6-9H,5H2,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3;2*4-7H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);6H,4-5,7H2,1-3H3;2*4-6H,1-3H3;2-6H,1H3;14*1H4
InChIKeyFWQHDVGOUBZWRO-UHFFFAOYSA-N
XLogP66.82
TPSA329.57 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003671.79
LogP ≤ 566.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene (CID 158164166) is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1cc2n(n1)CCOC2.CC(C)(C)c1cc2ncccc2s1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)NCC2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn2ncnc2c1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2ccncc2s1.CC(C)(C)c1nc2ncccc2[nH]1.CC(C)(C)c1noc2ccccc12.Cc1cc2ccccc2s1.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene?
The InChIKey is FWQHDVGOUBZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C13H16.C12H14N2.C12H15N.C12H17N.C12H14S.C11H18N2.C11H14N2.C11H13NO.2C11H13NS.2C11H17NS.2C10H13N3.C10H16N2O.2C10H12N2S.C9H8S.14CH4/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-6-8-7-13-5-4-12(8)11-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-7-6-8-4-2-3-5-9(8)10-7;;;;;;;;;;;;;;/h4-9H,1-3H3;4,6-9H,5H2,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-5,8,13H,6-7H2,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3;2*4-7H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);6H,4-5,7H2,1-3H3;2*4-6H,1-3H3;2-6H,1H3;14*1H4.
What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene?
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene has a molecular weight of 3671.79 g/mol, XLogP of 66.82, 0 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;bis(2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole);2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane;2-methyl-1-benzothiophene is sourced from PubChem (CID 158164166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).