2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane

C131H209N9O4S — CID 165081371

IUPAC2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
SMILESCC(C)(C)C(=O)CCc1ccccc1.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)c1ccon1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)C(C)(C)C.Cc1c(C)c(C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)cnc1C
InChIInChI=1S/C15H24.C13H18O.C11H14N2.C11H17N.3C9H13N.C8H12N2.C8H16O.C8H12O.C8H12S.C8H18.C7H11NO.C7H16/c1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3;1-13(2,3)12(14)10-9-11-7-5-4-6-8-11;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;1-7(2,3)6-4-5-9-8-6;1-6(2)7(3,4)5/h1-8H3;4-8H,9-10H2,1-3H3;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;4-5H,1-3H3;6H,1-5H3
InChIKeyVEHPWXWIIMCCHO-UHFFFAOYSA-N
MW2006.24 g/mol
LogP38.10
Rot. Bonds3

About 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane

2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane (PubChem CID 165081371) has the molecular formula C131H209N9O4S and a molecular weight of 2006.24 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
PubChem CID165081371
Molecular FormulaC131H209N9O4S
Molecular Weight2006.24 g/mol
Exact Mass2004.61
IUPAC Name2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane
SMILESCC(C)(C)C(=O)CCc1ccccc1.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)c1ccon1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)C(C)(C)C.Cc1c(C)c(C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)cnc1C
InChIInChI=1S/C15H24.C13H18O.C11H14N2.C11H17N.3C9H13N.C8H12N2.C8H16O.C8H12O.C8H12S.C8H18.C7H11NO.C7H16/c1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3;1-13(2,3)12(14)10-9-11-7-5-4-6-8-11;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;1-7(2,3)6-4-5-9-8-6;1-6(2)7(3,4)5/h1-8H3;4-8H,9-10H2,1-3H3;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;4-5H,1-3H3;6H,1-5H3
InChIKeyVEHPWXWIIMCCHO-UHFFFAOYSA-N
XLogP38.10
TPSA171.49 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.24
LogP ≤ 538.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane 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;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane (CID 165081371) is 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane is CC(C)(C)C(=O)CCc1ccccc1.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)c1ccon1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)C(C)(C)C.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;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?
The InChIKey is VEHPWXWIIMCCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C13H18O.C11H14N2.C11H17N.3C9H13N.C8H12N2.C8H16O.C8H12O.C8H12S.C8H18.C7H11NO.C7H16/c1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3;1-13(2,3)12(14)10-9-11-7-5-4-6-8-11;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;1-7(2,3)6-4-5-9-8-6;1-6(2)7(3,4)5/h1-8H3;4-8H,9-10H2,1-3H3;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;4-5H,1-3H3;6H,1-5H3.
What are the key properties of 2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane?
2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane has a molecular weight of 2006.24 g/mol, XLogP of 38.10, 3 rotatable bonds, 1 hydrogen bond donors, and 13 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;3-tert-butyl-1,2-oxazole;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;4,4-dimethyl-1-phenylpentan-3-one;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane is sourced from PubChem (CID 165081371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).