4-tert-butyl-1-ethenylimidazole

C9H14N2 — CID 22614089

IUPAC4-tert-butyl-1-ethenylimidazole
SMILESC=Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/C9H14N2/c1-5-11-6-8(10-7-11)9(2,3)4/h5-7H,1H2,2-4H3
InChIKeyBBLQJAAYMKZEBX-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.28
Rot. Bonds1

About 4-tert-butyl-1-ethenylimidazole

4-tert-butyl-1-ethenylimidazole (PubChem CID 22614089) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-tert-butyl-1-ethenylimidazole.

Molecular Properties

Compound Name4-tert-butyl-1-ethenylimidazole
PubChem CID22614089
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-tert-butyl-1-ethenylimidazole
SMILESC=Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/C9H14N2/c1-5-11-6-8(10-7-11)9(2,3)4/h5-7H,1H2,2-4H3
InChIKeyBBLQJAAYMKZEBX-UHFFFAOYSA-N
XLogP2.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Methylhistamine
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1-Methylhistamine dihydrochloride
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5-Isopropyl-1-methyl-2-nitro-1H-imidazole
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N-ethylhistamine
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2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
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5-Ethyl-1-methyl-2-nitro-1H-imidazole
CID 89839
N(tele)-methylhistaminium
CID 25245502
2-(1-Isopropyl-1H-imidazol-5-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethenylimidazole?
The IUPAC name of 4-tert-butyl-1-ethenylimidazole (CID 22614089) is 4-tert-butyl-1-ethenylimidazole.
What is the SMILES notation for 4-tert-butyl-1-ethenylimidazole?
The canonical SMILES for 4-tert-butyl-1-ethenylimidazole is C=Cn1cnc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-1-ethenylimidazole?
The InChIKey is BBLQJAAYMKZEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-11-6-8(10-7-11)9(2,3)4/h5-7H,1H2,2-4H3.
What are the key properties of 4-tert-butyl-1-ethenylimidazole?
4-tert-butyl-1-ethenylimidazole has a molecular weight of 150.22 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethenylimidazole is sourced from PubChem (CID 22614089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).