2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole

C245H420F12N62 — CID 165099595

IUPAC2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc(C(F)(F)F)n1.CC(C)(C)n1cccn1.CC(C)(C)n1nccc1C(F)(F)F.CC1=C(C(C)(C)C)N=CC1.CC1=NC(C(C)(C)C)=C(C)C1.CC1=NC(C(C)(C)C)=CC1.Cc1ccn(C(C)(C)C)n1.Cc1ccnn1C(C)(C)C.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)(C)C)n1C.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C(F)(F)F.Cc1cnn(C(C)(C)C)c1C(F)(F)F.Cc1nc(C(C)(C)C)cn1C.Cc1nc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1ncn(C)c1C(C)(C)C.Cc1nnc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)n1C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C.Cn1cnnc1C(C)(C)C
InChIInChI=1S/C10H17N.2C9H13F3N2.6C9H16N2.2C9H15N.2C8H11F3N2.2C8H15N3.8C8H14N2.C8H13N.3C7H13N3.2C7H12N2.C6H11N3/c1-7-6-8(2)11-9(7)10(3,4)5;2*1-6-5-13-14(8(2,3)4)7(6)9(10,11)12;1-7-8(9(2,3)4)11(5)6-10-7;1-7-10-8(6-11(7)5)9(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-7-6-10-8(11(7)5)9(2,3)4;2*1-7-6-10-11(8(7)2)9(3,4)5;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-7(2,3)13-5-4-6(12-13)8(9,10)11;1-7(2,3)13-6(4-5-12-13)8(9,10)11;2*1-6-9-10-7(11(6)5)8(2,3)4;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-6-10(7)4;2*1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)7-9-5-6-10(7)4;1-7-5-6-10(9-7)8(2,3)4;1-7-5-6-9-10(7)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-9-8-5-10(6)4;2*1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-6-4-5-8-9;1-6(2,3)5-7-4-8-9-5/h6H2,1-5H3;2*5H,1-4H3;6*6H,1-5H3;2*6H,5H2,1-4H3;2*4-5H,1-3H3;2*1-5H3;7*5-6H,1-4H3;5H,1-4H3,(H,9,10);5-6H,4H2,1-3H3;5H,1-4H3;2*1-4H3,(H,8,9,10);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4H,1-3H3,(H,7,8,9)
InChIKeyYCHGGXDQYJIBBS-UHFFFAOYSA-N
MW4462.46 g/mol
LogP61.16
Rot. Bonds

About 2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole

2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole (PubChem CID 165099595) has the molecular formula C245H420F12N62 and a molecular weight of 4462.46 g/mol. Its IUPAC name is 2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
PubChem CID165099595
Molecular FormulaC245H420F12N62
Molecular Weight4462.46 g/mol
Exact Mass4459.46
IUPAC Name2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc(C(F)(F)F)n1.CC(C)(C)n1cccn1.CC(C)(C)n1nccc1C(F)(F)F.CC1=C(C(C)(C)C)N=CC1.CC1=NC(C(C)(C)C)=C(C)C1.CC1=NC(C(C)(C)C)=CC1.Cc1ccn(C(C)(C)C)n1.Cc1ccnn1C(C)(C)C.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)(C)C)n1C.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C(F)(F)F.Cc1cnn(C(C)(C)C)c1C(F)(F)F.Cc1nc(C(C)(C)C)cn1C.Cc1nc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1ncn(C)c1C(C)(C)C.Cc1nnc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)n1C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C.Cn1cnnc1C(C)(C)C
InChIInChI=1S/C10H17N.2C9H13F3N2.6C9H16N2.2C9H15N.2C8H11F3N2.2C8H15N3.8C8H14N2.C8H13N.3C7H13N3.2C7H12N2.C6H11N3/c1-7-6-8(2)11-9(7)10(3,4)5;2*1-6-5-13-14(8(2,3)4)7(6)9(10,11)12;1-7-8(9(2,3)4)11(5)6-10-7;1-7-10-8(6-11(7)5)9(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-7-6-10-8(11(7)5)9(2,3)4;2*1-7-6-10-11(8(7)2)9(3,4)5;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-7(2,3)13-5-4-6(12-13)8(9,10)11;1-7(2,3)13-6(4-5-12-13)8(9,10)11;2*1-6-9-10-7(11(6)5)8(2,3)4;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-6-10(7)4;2*1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)7-9-5-6-10(7)4;1-7-5-6-10(9-7)8(2,3)4;1-7-5-6-9-10(7)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-9-8-5-10(6)4;2*1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-6-4-5-8-9;1-6(2,3)5-7-4-8-9-5/h6H2,1-5H3;2*5H,1-4H3;6*6H,1-5H3;2*6H,5H2,1-4H3;2*4-5H,1-3H3;2*1-5H3;7*5-6H,1-4H3;5H,1-4H3,(H,9,10);5-6H,4H2,1-3H3;5H,1-4H3;2*1-4H3,(H,8,9,10);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4H,1-3H3,(H,7,8,9)
InChIKeyYCHGGXDQYJIBBS-UHFFFAOYSA-N
XLogP61.16
TPSA644.40 Ų
H-Bond Donors5
H-Bond Acceptors57
Rotatable Bonds
Heavy Atoms319
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004462.46
LogP ≤ 561.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1057

Analyze 2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole (CID 165099595) is 2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole is CC(C)(C)C1=CCC=N1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncn[nH]1.CC(C)(C)n1ccc(C(F)(F)F)n1.CC(C)(C)n1cccn1.CC(C)(C)n1nccc1C(F)(F)F.CC1=C(C(C)(C)C)N=CC1.CC1=NC(C(C)(C)C)=C(C)C1.CC1=NC(C(C)(C)C)=CC1.Cc1ccn(C(C)(C)C)n1.Cc1ccnn1C(C)(C)C.Cc1cnc(C(C)(C)C)[nH]1.Cc1cnc(C(C)(C)C)n1C.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C.Cc1cnn(C(C)(C)C)c1C(F)(F)F.Cc1cnn(C(C)(C)C)c1C(F)(F)F.Cc1nc(C(C)(C)C)cn1C.Cc1nc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)n1C.Cc1ncn(C)c1C(C)(C)C.Cc1nnc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)n1C.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cncc1C(C)(C)C.Cn1cnnc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole?
The InChIKey is YCHGGXDQYJIBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.2C9H13F3N2.6C9H16N2.2C9H15N.2C8H11F3N2.2C8H15N3.8C8H14N2.C8H13N.3C7H13N3.2C7H12N2.C6H11N3/c1-7-6-8(2)11-9(7)10(3,4)5;2*1-6-5-13-14(8(2,3)4)7(6)9(10,11)12;1-7-8(9(2,3)4)11(5)6-10-7;1-7-10-8(6-11(7)5)9(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-7-6-10-8(11(7)5)9(2,3)4;2*1-7-6-10-11(8(7)2)9(3,4)5;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-7(2,3)13-5-4-6(12-13)8(9,10)11;1-7(2,3)13-6(4-5-12-13)8(9,10)11;2*1-6-9-10-7(11(6)5)8(2,3)4;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-6-10(7)4;2*1-7-5-9-10(6-7)8(2,3)4;1-8(2,3)7-9-5-6-10(7)4;1-7-5-6-10(9-7)8(2,3)4;1-7-5-6-9-10(7)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-9-8-5-10(6)4;2*1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-6-4-5-8-9;1-6(2,3)5-7-4-8-9-5/h6H2,1-5H3;2*5H,1-4H3;6*6H,1-5H3;2*6H,5H2,1-4H3;2*4-5H,1-3H3;2*1-5H3;7*5-6H,1-4H3;5H,1-4H3,(H,9,10);5-6H,4H2,1-3H3;5H,1-4H3;2*1-4H3,(H,8,9,10);4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4H,1-3H3,(H,7,8,9).
What are the key properties of 2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole?
2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole has a molecular weight of 4462.46 g/mol, XLogP of 61.16, 0 rotatable bonds, 5 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 165099595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).