2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

C241H334N60O — CID 157138509

IUPAC2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2n(n1)CCNC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=NC2.CC(C)(C)c1cn2c(n1)CNCC2.CC(C)(C)c1cn2ccncc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)c1nc2n(n1)CCNC2.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)C1=NCC2=C1CCCC2.CC(C)C1=NCc2ccncc21.CC(C)C1=NCc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)c1nnc2n1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1
InChIInChI=1S/C13H16.C12H15N.C11H14N2.C11H18N2.C11H14N2.C11H13N.C11H17N.C10H17N3.C10H13N3.C10H17N3.4C10H13N3.2C10H12N2.C10H16N2.C9H16N4.C9H12N4.2C9H11N3.C9H14N2O.C8H14N4.C8H10N4/c1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-10-6-4-3-5-9(10)7-12-11;2*1-10(2,3)8-7-13-5-4-11-6-9(13)12-8;1-10(2,3)9-6-8-7-11-4-5-13(8)12-9;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;2*1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-8(2)12-7-9-5-3-4-6-10(9)11-12;2*1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-6(2)9-7-5-10-4-3-8(7)11-12-9;2*1-6(2)8-11-10-7-5-9-3-4-12(7)8/h4-5,7-9H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7,13H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3-4,6-8H,5H2,1-2H3;8H,3-7H2,1-2H3;7,11H,4-6H2,1-3H3;4-7H,1-3H3;6,11H,4-5,7H2,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;7-8H,3-6H2,1-2H3;10H,4-6H2,1-3H3;4-6H,1-3H3;2*3-7H,1-2H3;6,10H,3-5H2,1-2H3;6,9H,3-5H2,1-2H3;3-6H,1-2H3
InChIKeyAJXJMBBOYQUCQH-UHFFFAOYSA-N
MW4087.74 g/mol
LogP49.67
Rot. Bonds10

About 2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine

2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 157138509) has the molecular formula C241H334N60O and a molecular weight of 4087.74 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID157138509
Molecular FormulaC241H334N60O
Molecular Weight4087.74 g/mol
Exact Mass4084.79
IUPAC Name2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2n(n1)CCNC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=NC2.CC(C)(C)c1cn2c(n1)CNCC2.CC(C)(C)c1cn2ccncc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)c1nc2n(n1)CCNC2.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)C1=NCC2=C1CCCC2.CC(C)C1=NCc2ccncc21.CC(C)C1=NCc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)c1nnc2n1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1
InChIInChI=1S/C13H16.C12H15N.C11H14N2.C11H18N2.C11H14N2.C11H13N.C11H17N.C10H17N3.C10H13N3.C10H17N3.4C10H13N3.2C10H12N2.C10H16N2.C9H16N4.C9H12N4.2C9H11N3.C9H14N2O.C8H14N4.C8H10N4/c1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-10-6-4-3-5-9(10)7-12-11;2*1-10(2,3)8-7-13-5-4-11-6-9(13)12-8;1-10(2,3)9-6-8-7-11-4-5-13(8)12-9;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;2*1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-8(2)12-7-9-5-3-4-6-10(9)11-12;2*1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-6(2)9-7-5-10-4-3-8(7)11-12-9;2*1-6(2)8-11-10-7-5-9-3-4-12(7)8/h4-5,7-9H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7,13H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3-4,6-8H,5H2,1-2H3;8H,3-7H2,1-2H3;7,11H,4-6H2,1-3H3;4-7H,1-3H3;6,11H,4-5,7H2,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;7-8H,3-6H2,1-2H3;10H,4-6H2,1-3H3;4-6H,1-3H3;2*3-7H,1-2H3;6,10H,3-5H2,1-2H3;6,9H,3-5H2,1-2H3;3-6H,1-2H3
InChIKeyAJXJMBBOYQUCQH-UHFFFAOYSA-N
XLogP49.67
TPSA686.68 Ų
H-Bond Donors9
H-Bond Acceptors57
Rotatable Bonds10
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004087.74
LogP ≤ 549.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1057

Analyze 2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (CID 157138509) is 2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2n(n1)CCNC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=NC2.CC(C)(C)c1cn2c(n1)CNCC2.CC(C)(C)c1cn2ccncc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)c1nc2n(n1)CCNC2.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)C1=NCC2=C1CCCC2.CC(C)C1=NCc2ccncc21.CC(C)C1=NCc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)c1nnc2n1CCNC2.CC(C)c1onc2c1CNCC2.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AJXJMBBOYQUCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16.C12H15N.C11H14N2.C11H18N2.C11H14N2.C11H13N.C11H17N.C10H17N3.C10H13N3.C10H17N3.4C10H13N3.2C10H12N2.C10H16N2.C9H16N4.C9H12N4.2C9H11N3.C9H14N2O.C8H14N4.C8H10N4/c1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)11-6-4-5-9-7-13-8-10(9)11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;1-8(2)11-10-6-4-3-5-9(10)7-12-11;2*1-10(2,3)8-7-13-5-4-11-6-9(13)12-8;1-10(2,3)9-6-8-7-11-4-5-13(8)12-9;1-10(2,3)13-9-4-5-11-6-8(9)7-12-13;1-10(2,3)13-9-7-11-5-4-8(9)6-12-13;2*1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-7(2)10-9-3-4-11-5-8(9)6-12-10;1-7(2)10-9-6-11-4-3-8(9)5-12-10;1-8(2)12-7-9-5-3-4-6-10(9)11-12;2*1-9(2,3)8-11-7-6-10-4-5-13(7)12-8;1-7(2)12-6-8-5-10-4-3-9(8)11-12;1-7(2)12-6-8-3-4-10-5-9(8)11-12;1-6(2)9-7-5-10-4-3-8(7)11-12-9;2*1-6(2)8-11-10-7-5-9-3-4-12(7)8/h4-5,7-9H,6H2,1-3H3;4-6,8H,7H2,1-3H3;4-7,13H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);3-4,6-8H,5H2,1-2H3;8H,3-7H2,1-2H3;7,11H,4-6H2,1-3H3;4-7H,1-3H3;6,11H,4-5,7H2,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3,(H,12,13);3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;7-8H,3-6H2,1-2H3;10H,4-6H2,1-3H3;4-6H,1-3H3;2*3-7H,1-2H3;6,10H,3-5H2,1-2H3;6,9H,3-5H2,1-2H3;3-6H,1-2H3.
What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 4087.74 g/mol, XLogP of 49.67, 10 rotatable bonds, 9 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;2-tert-butylimidazo[1,2-a]pyrazine;bis(2-tert-butyl-3H-imidazo[4,5-c]pyridine);4-tert-butyl-1H-indene;4-tert-butyl-1H-isoindole;1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;1-tert-butyl-4,5,6,7-tetrahydroindazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;2-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yl-3H-pyrrolo[3,4-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole;3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 157138509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).