bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole

C217H382N24O6 — CID 163618987

IUPACbis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole
SMILESCC(C)(C)c1c[nH]c(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1ccc(C(C)(C)C)[nH]1.CC(C)(C)c1cccn1C(C)(C)C.CC(C)(C)c1ccnn1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cncn1C(C)(C)C.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nccn1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C
InChIInChI=1S/5C12H21N.3C12H20O.8C11H20N2.3C11H19NO/c1-11(2,3)9-7-10(13-8-9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-11(2,3)9-7-10(13-8-9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;2*1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)9-7-12-8-13(9)11(4,5)6;1-10(2,3)9-12-7-8-13(9)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)9-7-8-12-13(9)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6/h3*7-8,13H,1-6H3;7-9H,1-6H3;7-8,13H,1-6H3;3*7-8H,1-6H3;2*7H,1-6H3,(H,12,13);2*7-8H,1-6H3;2*7H,1-6H3,(H,12,13);7-8H,1-6H3;7H,1-6H3,(H,12,13);3*7H,1-6H3
InChIKeyHMLPAETVHFXKIX-UHFFFAOYSA-N
MW3423.60 g/mol
LogP63.24
Rot. Bonds

About bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole

bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole (PubChem CID 163618987) has the molecular formula C217H382N24O6 and a molecular weight of 3423.60 g/mol. Its IUPAC name is bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole.

Molecular Properties

Compound Namebis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole
PubChem CID163618987
Molecular FormulaC217H382N24O6
Molecular Weight3423.60 g/mol
Exact Mass3421.03
IUPAC Namebis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole
SMILESCC(C)(C)c1c[nH]c(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1ccc(C(C)(C)C)[nH]1.CC(C)(C)c1cccn1C(C)(C)C.CC(C)(C)c1ccnn1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cncn1C(C)(C)C.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nccn1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C
InChIInChI=1S/5C12H21N.3C12H20O.8C11H20N2.3C11H19NO/c1-11(2,3)9-7-10(13-8-9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-11(2,3)9-7-10(13-8-9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;2*1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)9-7-12-8-13(9)11(4,5)6;1-10(2,3)9-12-7-8-13(9)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)9-7-8-12-13(9)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6/h3*7-8,13H,1-6H3;7-9H,1-6H3;7-8,13H,1-6H3;3*7-8H,1-6H3;2*7H,1-6H3,(H,12,13);2*7-8H,1-6H3;2*7H,1-6H3,(H,12,13);7-8H,1-6H3;7H,1-6H3,(H,12,13);3*7H,1-6H3
InChIKeyHMLPAETVHFXKIX-UHFFFAOYSA-N
XLogP63.24
TPSA382.46 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003423.60
LogP ≤ 563.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-5-tert-butyl-4H-pyrazole;tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;1-tert-butyl-3-cyclopropyl-1,2,4-triazole;1-tert-butyl-3-(1,1-difluoroethyl)-1,2,4-triazole;1-tert-butyl-3-ethylpyrazole;1-tert-butyl-4-ethylpyrazole;1-tert-butyl-3-ethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-(2-methylpropyl)-4H-pyrazole;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanone;3-tert-butyl-5-propan-2-yl-4H-pyrazole;1-tert-butyl-3-propan-2-yl-1,2,4-triazole;1,4-ditert-butylimidazole;2,5-ditert-butyl-1H-imidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);2,4-ditert-butyl-1,3-oxazole;bis(3,5-ditert-butyl-1,2-oxazole);2,4-ditert-butyl-1H-pyrazol-2-ium;1,3-ditert-butyl-1,2,4-triazole;methyl 1-tert-butyl-1,2,4-triazole-3-carboxylate
CID 157374887
1-(2-amino-4-methyl-1,3-oxazol-5-yl)ethanone;1-(2-amino-1,3-oxazol-5-yl)ethanone;1-cyclopenta-1,3-dien-1-ylethanone;1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone;1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;1-(furan-2-yl)ethanone;1-(1H-imidazol-5-yl)ethanone;1-(4-methyl-1,3-oxazol-5-yl)ethanone;1-(5-methyl-1,2-oxazol-3-yl)ethanone;bis(1-(2-methylpyrazol-3-yl)ethanone);1-(5-methyl-1H-pyrazol-3-yl)ethanone;1-(1-methylpyrrol-2-yl)ethanone;1-(5-methyl-2H-pyrrol-3-yl)ethanone;1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-(1,2-oxazol-5-yl)ethanone;1-(1,3-oxazol-4-yl)ethanone;1-(1,3-oxazol-5-yl)ethanone;1-(3H-pyrrol-2-yl)ethanone
CID 159195077
4-Tert-butyl-1-ethyltriazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;3-methyl-5-propan-2-yl-1,2-dihydroimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(1-propan-2-ylpyrazole)
CID 159534240
cumene;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-2H-pyrrole;2-(1-fluoroethyl)-4-propan-2-yl-1,3-oxazole;2-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;4-(1-fluoroethyl)-5-propan-2-yl-1,3-oxazole;5-(1-fluoroethyl)-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;bis(2-methyl-4-propan-2-yl-1,3-oxazole);2-methyl-5-propan-2-yl-1,3-oxazole;bis(5-methyl-3-propan-2-yl-1,2-oxazole);5-methyl-4-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-2H-pyrrole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;2-propan-2-yl-3-(trifluoromethyl)furan;4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazole
CID 163963054
furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
5-(1,2,4-oxadiazol-5-yl)-3-[5-[4-[3-[5-[4-[2-[3-[2-[4-[2-[5-[4-(1H-triazol-5-yl)-1,2,4-triazol-3-yl]-1H-1,2,4-triazol-3-yl]-1H-imidazol-4-yl]-1H-imidazol-2-yl]-1H-pyrrol-3-yl]-1H-pyrrol-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-2-yl]-1,3-oxazol-2-yl]-1,2-oxazol-4-yl]-1,2-oxazol-3-yl]-1,2-oxazol-3-yl]-1,2,4-oxadiazole
CID 123643050
2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]-4-(1,2-oxazol-3-yl)-1,3-oxazole
CID 136650514
2-[2-[2-[3-[4-(1H-pyrazol-5-yl)-1,2-thiazol-5-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-4-(1H-pyrrol-2-yl)-1,3-oxazole
CID 136654843
5-(oxolan-2-yl)-1-[4-(1H-pyrazol-5-yl)furan-2-yl]-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)imidazole
CID 141012990
2-(1H-azepin-2-yl)-4-(1H-imidazol-2-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1,2-oxazole
CID 141013181
2-tert-butyl-2,3-dihydropyran-6-one;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-3-ethynyl-1-methylpyrazole;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-5-ethynyl-1H-pyrazole
CID 157068312
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157077930

Frequently Asked Questions

What is the IUPAC name of bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole?
The IUPAC name of bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole (CID 163618987) is bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole.
What is the SMILES notation for bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole?
The canonical SMILES for bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole is CC(C)(C)c1c[nH]c(C(C)(C)C)c1.CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1ccc(C(C)(C)C)[nH]1.CC(C)(C)c1cccn1C(C)(C)C.CC(C)(C)c1ccnn1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cncn1C(C)(C)C.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)n1.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nccn1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C.
What is the InChIKey of bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole?
The InChIKey is HMLPAETVHFXKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H21N.3C12H20O.8C11H20N2.3C11H19NO/c1-11(2,3)9-7-10(13-8-9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;1-11(2,3)10-8-7-9-13(10)12(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-11(2,3)9-7-10(13-8-9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;2*1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)9-7-12-8-13(9)11(4,5)6;1-10(2,3)9-12-7-8-13(9)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-10(2,3)9-7-8-12-13(9)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-9(13-12-8)11(4,5)6/h3*7-8,13H,1-6H3;7-9H,1-6H3;7-8,13H,1-6H3;3*7-8H,1-6H3;2*7H,1-6H3,(H,12,13);2*7-8H,1-6H3;2*7H,1-6H3,(H,12,13);7-8H,1-6H3;7H,1-6H3,(H,12,13);3*7H,1-6H3.
What are the key properties of bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole?
bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole has a molecular weight of 3423.60 g/mol, XLogP of 63.24, 0 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-ditert-butylfuran);2,4-ditert-butylfuran;1,2-ditert-butylimidazole;1,5-ditert-butylimidazole;bis(2,5-ditert-butyl-1H-imidazole);bis(4,5-ditert-butyl-1H-imidazole);2,4-ditert-butyl-1,3-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;1,5-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole;1,2-ditert-butylpyrrole;bis(2,3-ditert-butyl-1H-pyrrole);2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole is sourced from PubChem (CID 163618987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).