2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane

C104H164N8O2S — CID 164966383

IUPAC2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CC(C)(C)C1CCCO1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.Cc1c(C)c(C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)cnc1C
InChIInChI=1S/C15H24.C11H14N2.C11H17N.3C9H13N.C8H12N2.C8H16O.C8H12O.C8H12S.C8H18/c1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8-6-10(11(3,4)5)7-12-9(8)2;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)8(4,5)6/h1-8H3;4-7H,1-3H3,(H,12,13);6-7H,1-5H3;3*4-7H,1-3H3;4-6H,1-3H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3;1-6H3
InChIKeyCNNNFJJNGHGYFU-UHFFFAOYSA-N
MW1590.58 g/mol
LogP30.21
Rot. Bonds

About 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane

2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane (PubChem CID 164966383) has the molecular formula C104H164N8O2S and a molecular weight of 1590.58 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane
PubChem CID164966383
Molecular FormulaC104H164N8O2S
Molecular Weight1590.58 g/mol
Exact Mass1589.27
IUPAC Name2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane
SMILESCC(C)(C)C(C)(C)C.CC(C)(C)C1CCCO1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.Cc1c(C)c(C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)cnc1C
InChIInChI=1S/C15H24.C11H14N2.C11H17N.3C9H13N.C8H12N2.C8H16O.C8H12O.C8H12S.C8H18/c1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8-6-10(11(3,4)5)7-12-9(8)2;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)8(4,5)6/h1-8H3;4-7H,1-3H3,(H,12,13);6-7H,1-5H3;3*4-7H,1-3H3;4-6H,1-3H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3;1-6H3
InChIKeyCNNNFJJNGHGYFU-UHFFFAOYSA-N
XLogP30.21
TPSA128.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001590.58
LogP ≤ 530.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane (CID 164966383) is 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane is CC(C)(C)C(C)(C)C.CC(C)(C)C1CCCO1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.Cc1c(C)c(C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)cnc1C.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane?
The InChIKey is CNNNFJJNGHGYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C11H14N2.C11H17N.3C9H13N.C8H12N2.C8H16O.C8H12O.C8H12S.C8H18/c1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8-6-10(11(3,4)5)7-12-9(8)2;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)8(4,5)6/h1-8H3;4-7H,1-3H3,(H,12,13);6-7H,1-5H3;3*4-7H,1-3H3;4-6H,1-3H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3;1-6H3.
What are the key properties of 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane?
2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane has a molecular weight of 1590.58 g/mol, XLogP of 30.21, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 164966383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).