4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane

C71H113N5O3S2 — CID 157189504

IUPAC4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane
SMILESC.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)o1.Cc1nc(C(C)(C)C)cn1C.Cc1noc(C)c1C(C)(C)C
InChIInChI=1S/C9H16N2.C9H15NO.2C9H13N.2C9H14O.2C8H12S.CH4/c1-7-10-8(6-11(7)5)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;2*1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;/h6H,1-5H3;1-5H3;2*4-7H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;1H4
InChIKeyAPNIYISNGZFWOT-UHFFFAOYSA-N
MW1148.85 g/mol
LogP21.87
Rot. Bonds

About 4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane

4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane (PubChem CID 157189504) has the molecular formula C71H113N5O3S2 and a molecular weight of 1148.85 g/mol. Its IUPAC name is 4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane.

Molecular Properties

Compound Name4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane
PubChem CID157189504
Molecular FormulaC71H113N5O3S2
Molecular Weight1148.85 g/mol
Exact Mass1147.83
IUPAC Name4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane
SMILESC.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)o1.Cc1nc(C(C)(C)C)cn1C.Cc1noc(C)c1C(C)(C)C
InChIInChI=1S/C9H16N2.C9H15NO.2C9H13N.2C9H14O.2C8H12S.CH4/c1-7-10-8(6-11(7)5)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;2*1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;/h6H,1-5H3;1-5H3;2*4-7H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;1H4
InChIKeyAPNIYISNGZFWOT-UHFFFAOYSA-N
XLogP21.87
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001148.85
LogP ≤ 521.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane with MolForge

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Launch Full Analysis

Related Compounds

2-Tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
CID 157217434
2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157417542
2-tert-butylfuran;3-tert-butylfuran;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butylthiophene;3-tert-butylthiophene;2-tert-butyl-1,3,5-triazine
CID 157621968
2-Tert-butyl-3a,7a-dihydro-1-benzofuran;2-tert-butyl-3a,7a-dihydro-1-benzothiophene;2-tert-butylcyclopenta-1,3-diene;4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);4-tert-butylmorpholine;1-tert-butylpiperidin-4-ol;2-tert-butylpyridine;3-tert-butylpyridine;8-tert-butylquinoline;2-tert-butylthiophene;1-propan-2-ylpyrrolidine
CID 157873197
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene
CID 158273706
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,5-dimethyl-3-propan-2-ylpyridine;2-methylpropane;bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;tris(2-methyl-5-propan-2-ylpyridine);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;pyridine
CID 158707972
5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2-methyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-pyrrole
CID 159095014
3-Tert-butyl-2,5-dimethylpyridine;tris(5-tert-butyl-2-methylpyridine);3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2-methylpropane;1-methyl-3-propan-2-ylpyrazole;bis(1-methyl-4-propan-2-ylpyrazole);2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;pyridine
CID 159789655
2-tert-butylfuran;1-tert-butylimidazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene
CID 159873031
tert-butylbenzene;2-tert-butylfuran;bis(3-tert-butylfuran);2-tert-butyl-4H-imidazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;bis(5-tert-butyl-2H-pyrrole);bis(5-tert-butyl-1,2,4-thiadiazole);2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene)
CID 159922113
2-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene
CID 160045572
2-Tert-butylcyclopenta-1,3-diene;4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene
CID 160087697

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane?
The IUPAC name of 4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane (CID 157189504) is 4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane.
What is the SMILES notation for 4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane?
The canonical SMILES for 4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane is C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)o1.Cc1nc(C(C)(C)C)cn1C.Cc1noc(C)c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane?
The InChIKey is APNIYISNGZFWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C9H15NO.2C9H13N.2C9H14O.2C8H12S.CH4/c1-7-10-8(6-11(7)5)9(2,3)4;1-6-8(9(3,4)5)7(2)11-10-6;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;2*1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;/h6H,1-5H3;1-5H3;2*4-7H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;1H4.
What are the key properties of 4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane?
4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane has a molecular weight of 1148.85 g/mol, XLogP of 21.87, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-3,5-dimethyl-1,2-oxazole;bis(2-tert-butyl-5-methylfuran);2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylthiophene;3-tert-butylthiophene;methane is sourced from PubChem (CID 157189504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).