1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole

C28H48N8 — CID 158048203

IUPAC1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole
SMILESCC(C)(C)c1ccn[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)n1ccnc1
InChIInChI=1S/4C7H12N2/c1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9)
InChIKeyFJDZRNZSSVPAOS-UHFFFAOYSA-N
MW496.75 g/mol
LogP6.76
Rot. Bonds

About 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole

1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole (PubChem CID 158048203) has the molecular formula C28H48N8 and a molecular weight of 496.75 g/mol. Its IUPAC name is 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole.

Molecular Properties

Compound Name1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole
PubChem CID158048203
Molecular FormulaC28H48N8
Molecular Weight496.75 g/mol
Exact Mass496.40
IUPAC Name1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole
SMILESCC(C)(C)c1ccn[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)n1ccnc1
InChIInChI=1S/4C7H12N2/c1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9)
InChIKeyFJDZRNZSSVPAOS-UHFFFAOYSA-N
XLogP6.76
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.75
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 70518554
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CID 67927666
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2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole
CID 158448689
2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157173149
tert-butylbenzene;2-tert-butyl-1H-imidazole;bis(4-tert-butyl-1H-pyrazole);2-tert-butylpyridine;4-tert-butylpyridine
CID 165028023
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-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;4-tert-butyl-1,2,4-triazole;tris(5-tert-butyl-1H-1,2,4-triazole)
CID 161102414

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole?
The IUPAC name of 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole (CID 158048203) is 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole.
What is the SMILES notation for 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole?
The canonical SMILES for 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole is CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)n1ccnc1.
What is the InChIKey of 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole?
The InChIKey is FJDZRNZSSVPAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H12N2/c1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9).
What are the key properties of 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole?
1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole has a molecular weight of 496.75 g/mol, XLogP of 6.76, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1H-pyrazole is sourced from PubChem (CID 158048203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).