2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene

C23H36N2S2 — CID 167694355

IUPAC2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene
SMILESCC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.CC(C)(C)c1ncc[nH]1
InChIInChI=1S/2C8H12S.C7H12N2/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6/h2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyXKRXCMDDWPHSKS-UHFFFAOYSA-N
MW404.69 g/mol
LogP7.80
Rot. Bonds

About 2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene

2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene (PubChem CID 167694355) has the molecular formula C23H36N2S2 and a molecular weight of 404.69 g/mol. Its IUPAC name is 2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene.

Molecular Properties

Compound Name2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene
PubChem CID167694355
Molecular FormulaC23H36N2S2
Molecular Weight404.69 g/mol
Exact Mass404.23
IUPAC Name2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene
SMILESCC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.CC(C)(C)c1ncc[nH]1
InChIInChI=1S/2C8H12S.C7H12N2/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6/h2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyXKRXCMDDWPHSKS-UHFFFAOYSA-N
XLogP7.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.69
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 143976463
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2-tert-butylthiophene;oxaldehyde
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2-amino-1-thiophen-2-yl-1-thiophen-3-ylethanol
CID 139027677
tert-butylbenzene;5-tert-butylpyrimidine;2-tert-butylthiophene
CID 158723352
1-(1H-imidazol-2-yl)-1-phenylethanol
CID 15123322
2,3-dimethyl-3-thiophen-3-ylbutan-2-amine
CID 18719736
bis(2-tert-butyl-1,3-dimethylbenzene);tris(1-tert-butyl-2-methylbenzene);1-tert-butyl-9-phenylcarbazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 165033490
2-(2-bromopropan-2-yl)thiophene
CID 174915633

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene?
The IUPAC name of 2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene (CID 167694355) is 2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene.
What is the SMILES notation for 2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene?
The canonical SMILES for 2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene is CC(C)(C)c1cccs1.CC(C)(C)c1ccsc1.CC(C)(C)c1ncc[nH]1.
What is the InChIKey of 2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene?
The InChIKey is XKRXCMDDWPHSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12S.C7H12N2/c1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6/h2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9).
What are the key properties of 2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene?
2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene has a molecular weight of 404.69 g/mol, XLogP of 7.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-imidazole;2-tert-butylthiophene;3-tert-butylthiophene is sourced from PubChem (CID 167694355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).