1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole

C206H329N39O12 — CID 163696622

IUPAC1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole
SMILESCC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1n[nH]c(C(C)(C)C)n1.CC(C)(C)c1nc2ccccc2n1C(C)(C)C.CC(C)(C)c1nc2ccccc2n1Cc1ccccc1.CC(C)(C)c1ncc(Cc2ccccc2)o1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(Cc2ccccc2)o1.CC(C)(C)c1nnco1.CC(C)Cc1cnc(C(C)(C)C)o1.CC(C)Cc1nc(C(C)(C)C)n[nH]1.CC(C)Cc1nnc(C(C)(C)C)o1.CCCCc1cnc(C(C)(C)C)o1.CCCCc1nc(C(C)(C)C)n[nH]1.CCCCc1nnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)o1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nnc(C(C)(C)C)o1.Cn1c(C(C)(C)C)nc2ccccc21
InChIInChI=1S/C18H20N2.C15H22N2.C14H17NO.C13H16N2O.C12H16N2.3C11H19NO.3C10H19N3.3C10H18N2O.C8H13NO.C7H13N3.C7H12N2O.C7H11NO.C6H11N3.C6H10N2O/c1-18(2,3)17-19-15-11-7-8-12-16(15)20(17)13-14-9-5-4-6-10-14;1-14(2,3)13-16-11-9-7-8-10-12(11)17(13)15(4,5)6;1-14(2,3)13-15-10-12(16-13)9-11-7-5-4-6-8-11;1-13(2,3)12-15-14-11(16-12)9-10-7-5-4-6-8-10;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)6-9-7-12-10(13-9)11(3,4)5;1-5-6-7-9-8-12-10(13-9)11(2,3)4;1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-7(2)6-8-11-9(13-12-8)10(3,4)5;1-5-6-7-8-11-9(13-12-8)10(2,3)4;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-7(2)6-8-11-12-9(13-8)10(3,4)5;1-5-6-7-8-11-12-9(13-8)10(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-8-7-4-9-5/h4-12H,13H2,1-3H3;7-10H,1-6H3;4-8,10H,9H2,1-3H3;4-8H,9H2,1-3H3;5-8H,1-4H3;7H,1-6H3;7-8H,6H2,1-5H3;8H,5-7H2,1-4H3;1-6H3,(H,11,12,13);7H,6H2,1-5H3,(H,11,12,13);5-7H2,1-4H3,(H,11,12,13);1-6H3;7H,6H2,1-5H3;5-7H2,1-4H3;5H,1-4H3;1-4H3,(H,8,9,10);1-4H3;4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3
InChIKeyJXMYDYQFZBQGDW-UHFFFAOYSA-N
MW3544.16 g/mol
LogP52.51
Rot. Bonds21

About 1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole

1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole (PubChem CID 163696622) has the molecular formula C206H329N39O12 and a molecular weight of 3544.16 g/mol. Its IUPAC name is 1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole
PubChem CID163696622
Molecular FormulaC206H329N39O12
Molecular Weight3544.16 g/mol
Exact Mass3541.63
IUPAC Name1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole
SMILESCC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1n[nH]c(C(C)(C)C)n1.CC(C)(C)c1nc2ccccc2n1C(C)(C)C.CC(C)(C)c1nc2ccccc2n1Cc1ccccc1.CC(C)(C)c1ncc(Cc2ccccc2)o1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(Cc2ccccc2)o1.CC(C)(C)c1nnco1.CC(C)Cc1cnc(C(C)(C)C)o1.CC(C)Cc1nc(C(C)(C)C)n[nH]1.CC(C)Cc1nnc(C(C)(C)C)o1.CCCCc1cnc(C(C)(C)C)o1.CCCCc1nc(C(C)(C)C)n[nH]1.CCCCc1nnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)o1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nnc(C(C)(C)C)o1.Cn1c(C(C)(C)C)nc2ccccc21
InChIInChI=1S/C18H20N2.C15H22N2.C14H17NO.C13H16N2O.C12H16N2.3C11H19NO.3C10H19N3.3C10H18N2O.C8H13NO.C7H13N3.C7H12N2O.C7H11NO.C6H11N3.C6H10N2O/c1-18(2,3)17-19-15-11-7-8-12-16(15)20(17)13-14-9-5-4-6-10-14;1-14(2,3)13-16-11-9-7-8-10-12(11)17(13)15(4,5)6;1-14(2,3)13-15-10-12(16-13)9-11-7-5-4-6-8-11;1-13(2,3)12-15-14-11(16-12)9-10-7-5-4-6-8-10;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)6-9-7-12-10(13-9)11(3,4)5;1-5-6-7-9-8-12-10(13-9)11(2,3)4;1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-7(2)6-8-11-9(13-12-8)10(3,4)5;1-5-6-7-8-11-9(13-12-8)10(2,3)4;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-7(2)6-8-11-12-9(13-8)10(3,4)5;1-5-6-7-8-11-12-9(13-8)10(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-8-7-4-9-5/h4-12H,13H2,1-3H3;7-10H,1-6H3;4-8,10H,9H2,1-3H3;4-8H,9H2,1-3H3;5-8H,1-4H3;7H,1-6H3;7-8H,6H2,1-5H3;8H,5-7H2,1-4H3;1-6H3,(H,11,12,13);7H,6H2,1-5H3,(H,11,12,13);5-7H2,1-4H3,(H,11,12,13);1-6H3;7H,6H2,1-5H3;5-7H2,1-4H3;5H,1-4H3;1-4H3,(H,8,9,10);1-4H3;4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3
InChIKeyJXMYDYQFZBQGDW-UHFFFAOYSA-N
XLogP52.51
TPSA651.01 Ų
H-Bond Donors5
H-Bond Acceptors46
Rotatable Bonds21
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003544.16
LogP ≤ 552.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1046

Analyze 1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

but-2-yne;N,2-dimethylpropanamide;ethane;5-methyl-2-(2-methylpropyl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;1-methyl-4-propan-2-yltriazole;4-methyl-2-propan-2-yltriazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;5-phenyl-2-propan-2-yl-1H-imidazole;3-phenyl-5-propan-2-yl-1H-pyrazole;2-phenyl-5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-5-prop-1-ynyl-1H-imidazole;5-propan-2-yl-3-prop-1-ynyl-2H-pyrrole;toluene
CID 161056910
1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;1-benzyl-4-tert-butyltriazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole
CID 163881317
1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;bis(5-butyl-2-tert-butyl-1,3-oxazole);5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole
CID 164074054

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole?
The IUPAC name of 1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole (CID 163696622) is 1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole.
What is the SMILES notation for 1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole?
The canonical SMILES for 1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole is CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1n[nH]c(C(C)(C)C)n1.CC(C)(C)c1nc2ccccc2n1C(C)(C)C.CC(C)(C)c1nc2ccccc2n1Cc1ccccc1.CC(C)(C)c1ncc(Cc2ccccc2)o1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(Cc2ccccc2)o1.CC(C)(C)c1nnco1.CC(C)Cc1cnc(C(C)(C)C)o1.CC(C)Cc1nc(C(C)(C)C)n[nH]1.CC(C)Cc1nnc(C(C)(C)C)o1.CCCCc1cnc(C(C)(C)C)o1.CCCCc1nc(C(C)(C)C)n[nH]1.CCCCc1nnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)o1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nnc(C(C)(C)C)o1.Cn1c(C(C)(C)C)nc2ccccc21.
What is the InChIKey of 1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole?
The InChIKey is JXMYDYQFZBQGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.C15H22N2.C14H17NO.C13H16N2O.C12H16N2.3C11H19NO.3C10H19N3.3C10H18N2O.C8H13NO.C7H13N3.C7H12N2O.C7H11NO.C6H11N3.C6H10N2O/c1-18(2,3)17-19-15-11-7-8-12-16(15)20(17)13-14-9-5-4-6-10-14;1-14(2,3)13-16-11-9-7-8-10-12(11)17(13)15(4,5)6;1-14(2,3)13-15-10-12(16-13)9-11-7-5-4-6-8-11;1-13(2,3)12-15-14-11(16-12)9-10-7-5-4-6-8-10;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)6-9-7-12-10(13-9)11(3,4)5;1-5-6-7-9-8-12-10(13-9)11(2,3)4;1-9(2,3)7-11-8(13-12-7)10(4,5)6;1-7(2)6-8-11-9(13-12-8)10(3,4)5;1-5-6-7-8-11-9(13-12-8)10(2,3)4;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-7(2)6-8-11-12-9(13-8)10(3,4)5;1-5-6-7-8-11-12-9(13-8)10(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)5-8-7-4-9-5/h4-12H,13H2,1-3H3;7-10H,1-6H3;4-8,10H,9H2,1-3H3;4-8H,9H2,1-3H3;5-8H,1-4H3;7H,1-6H3;7-8H,6H2,1-5H3;8H,5-7H2,1-4H3;1-6H3,(H,11,12,13);7H,6H2,1-5H3,(H,11,12,13);5-7H2,1-4H3,(H,11,12,13);1-6H3;7H,6H2,1-5H3;5-7H2,1-4H3;5H,1-4H3;1-4H3,(H,8,9,10);1-4H3;4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3.
What are the key properties of 1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole?
1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole has a molecular weight of 3544.16 g/mol, XLogP of 52.51, 21 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-tert-butylbenzimidazole;2-benzyl-5-tert-butyl-1,3,4-oxadiazole;5-benzyl-2-tert-butyl-1,3-oxazole;5-butyl-2-tert-butyl-1,3,4-oxadiazole;5-butyl-2-tert-butyl-1,3-oxazole;5-butyl-3-tert-butyl-1H-1,2,4-triazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;2-tert-butyl-5-(2-methylpropyl)-1,3,4-oxadiazole;2-tert-butyl-5-(2-methylpropyl)-1,3-oxazole;3-tert-butyl-5-(2-methylpropyl)-1H-1,2,4-triazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1H-1,2,4-triazole;1,2-ditert-butylbenzimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1H-1,2,4-triazole is sourced from PubChem (CID 163696622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).