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

C200H274N40O2 — CID 158333993

IUPAC2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)C1=NCC2=C1CCCC2.CC(C)(C)C1=NCC2=C1CCNC2.CC(C)(C)C1=NCc2ccncc21.CC(C)(C)C1=NCc2cnccc21.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)c1onc2c1CCCC2.CC(C)(C)c1onc2c1CNCC2.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1
InChIInChI=1S/2C13H16.C12H19N.C11H18N2.2C11H14N2.C11H18N2.C11H14N2.C11H17NO.C11H13N.3C10H13N3.C10H16N2O.C10H16N2.C9H12N4.2C9H11N3.C8H10N4/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;2*1-11(2,3)10-9-4-5-12-6-8(9)7-13-10;1-11(2,3)10-9-7-12-5-4-8(9)6-13-10;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;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;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;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-7-6-11-5-4-8(7)12-13-9;1-8(2)12-7-9-5-3-4-6-10(9)11-12;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)8-11-10-7-5-9-3-4-12(7)8/h2*4-5,7-9H,6H2,1-3H3;4-8H2,1-3H3;12H,4-7H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H2,1-3H3;3-4,6-8H,5H2,1-2H3;2*4-7H,1-3H3;4-6H,1-3H3,(H,12,13);11H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3
InChIKeyGQIXXIDMSQXPSK-UHFFFAOYSA-N
MW3270.67 g/mol
LogP45.39
Rot. Bonds5

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

2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 158333993) has the molecular formula C200H274N40O2 and a molecular weight of 3270.67 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID158333993
Molecular FormulaC200H274N40O2
Molecular Weight3270.67 g/mol
Exact Mass3268.26
IUPAC Name2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)C1=NCC2=C1CCCC2.CC(C)(C)C1=NCC2=C1CCNC2.CC(C)(C)C1=NCc2ccncc21.CC(C)(C)C1=NCc2cnccc21.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)c1onc2c1CCCC2.CC(C)(C)c1onc2c1CNCC2.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1
InChIInChI=1S/2C13H16.C12H19N.C11H18N2.2C11H14N2.C11H18N2.C11H14N2.C11H17NO.C11H13N.3C10H13N3.C10H16N2O.C10H16N2.C9H12N4.2C9H11N3.C8H10N4/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;2*1-11(2,3)10-9-4-5-12-6-8(9)7-13-10;1-11(2,3)10-9-7-12-5-4-8(9)6-13-10;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;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;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;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-7-6-11-5-4-8(7)12-13-9;1-8(2)12-7-9-5-3-4-6-10(9)11-12;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)8-11-10-7-5-9-3-4-12(7)8/h2*4-5,7-9H,6H2,1-3H3;4-8H2,1-3H3;12H,4-7H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H2,1-3H3;3-4,6-8H,5H2,1-2H3;2*4-7H,1-3H3;4-6H,1-3H3,(H,12,13);11H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3
InChIKeyGQIXXIDMSQXPSK-UHFFFAOYSA-N
XLogP45.39
TPSA479.12 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds5
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003270.67
LogP ≤ 545.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

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

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Related Compounds

3-(1,1-difluoro-2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-ethylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
CID 157662930
3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2-pyrrolidin-1-ylethyl)-1,2-benzoxazol-6-amine
CID 158313099
7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-[[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-6-methyl-1,2-benzoxazole;N-[[3-[[7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-1,2-benzoxazol-3-yl]methyl]-5-(trifluoromethyl)phenyl]methyl]cyclopropanamine;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole
CID 158470085
3-[2-[(3,3-difluorocyclobutyl)amino]prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[1-(6-methylidene-1H-pyridin-3-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 158926049
7-[2-(2H-benzotriazol-5-yl)ethynyl]-6-methyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-methyl-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;6-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-1,2-benzoxazole;6-methyl-3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-1,2-benzoxazole
CID 159047536
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-methyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-1,2-benzoxazole
CID 159630690
CID 161292437
CID 161292437
3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-ethylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 161300818
N,N-dimethyl-3-[[6-methyl-7-(2-pyrazolo[1,5-c]pyrimidin-3-ylethynyl)-1,2-benzoxazol-3-yl]methyl]aniline;7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[[3-methyl-5-(piperidin-1-ylmethyl)phenyl]methyl]-1,2-benzoxazole
CID 161886723
3-[3-(1H-benzimidazol-2-yl)-6-(1H-pyrazol-3-yl)-4-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-1-quinolin-2-yl-7-(1H-tetrazol-5-yl)isoquinolin-5-yl]-1,2-oxazole
CID 141064053
3-[2-(1H-indazol-3-yl)-3-(7H-purin-2-yl)-1-pyrazin-2-yl-6-pyridazin-3-yl-5-pyridin-2-yl-7-pyrimidin-2-yl-3H-inden-4-yl]-1,2-oxazole
CID 141204913
3-[2-(1H-imidazol-2-yl)-2-pyrazin-2-yl-4-pyridazin-3-yl-1-pyridin-2-yl-3-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-5-quinolin-2-ylpyrrolidin-3-yl]-1,2-oxazole
CID 141385601

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine (CID 158333993) is 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;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-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)C1=NCC2=C1CCCC2.CC(C)(C)C1=NCC2=C1CCNC2.CC(C)(C)C1=NCc2ccncc21.CC(C)(C)C1=NCc2cnccc21.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccncc2[nH]1.CC(C)(C)c1nc2cnccn2n1.CC(C)(C)c1onc2c1CCCC2.CC(C)(C)c1onc2c1CNCC2.CC(C)(C)n1ncc2c1CCCC2.CC(C)(C)n1ncc2ccncc21.CC(C)(C)n1ncc2cnccc21.CC(C)c1ccc2c(n1)CC=C2.CC(C)c1nnc2cnccn12.CC(C)n1cc2c(n1)CCCC2.CC(C)n1cc2ccncc2n1.CC(C)n1cc2cnccc2n1.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GQIXXIDMSQXPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16.C12H19N.C11H18N2.2C11H14N2.C11H18N2.C11H14N2.C11H17NO.C11H13N.3C10H13N3.C10H16N2O.C10H16N2.C9H12N4.2C9H11N3.C8H10N4/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;2*1-11(2,3)10-9-4-5-12-6-8(9)7-13-10;1-11(2,3)10-9-7-12-5-4-8(9)6-13-10;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;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-8(2)10-7-6-9-4-3-5-11(9)12-10;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;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-7-6-11-5-4-8(7)12-13-9;1-8(2)12-7-9-5-3-4-6-10(9)11-12;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)8-11-10-7-5-9-3-4-12(7)8/h2*4-5,7-9H,6H2,1-3H3;4-8H2,1-3H3;12H,4-7H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H2,1-3H3;3-4,6-8H,5H2,1-2H3;2*4-7H,1-3H3;4-6H,1-3H3,(H,12,13);11H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine?
2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 3270.67 g/mol, XLogP of 45.39, 5 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;2-tert-butyl-3H-imidazo[4,5-c]pyridine;bis(4-tert-butyl-1H-indene);1-tert-butylpyrazolo[4,5-c]pyridine;1-tert-butylpyrazolo[5,4-c]pyridine;1-tert-butyl-3H-pyrrolo[3,4-c]pyridine;3-tert-butyl-1H-pyrrolo[3,4-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-2,1-benzoxazole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;3-tert-butyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;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;2-propan-2-yl-4,5,6,7-tetrahydroindazole;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 158333993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).