5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)

C78H119N11 — CID 161109500

IUPAC5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
SMILESC=CC1=NC(C(C)(C)C)=CC1.C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1ncc(C(C)(C)C)[nH]1.C=Cc1ncc(C(C)(C)C)n1C
InChIInChI=1S/C10H16N2.5C10H15N.2C9H14N2/c1-6-9-11-7-8(12(9)5)10(2,3)4;1-5-9-6-8(7-11-9)10(2,3)4;2*1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-8-6-7-9(11-8)10(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4/h6-7H,1H2,2-5H3;3*5-6H,1,7H2,2-4H3;2*5,7H,1,6H2,2-4H3;2*5-6H,1H2,2-4H3,(H,10,11)
InChIKeyUJMSUXGKOHEUHZ-UHFFFAOYSA-N
MW1210.89 g/mol
LogP20.75
Rot. Bonds8

About 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)

5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole) (PubChem CID 161109500) has the molecular formula C78H119N11 and a molecular weight of 1210.89 g/mol. Its IUPAC name is 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole).

Molecular Properties

Compound Name5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
PubChem CID161109500
Molecular FormulaC78H119N11
Molecular Weight1210.89 g/mol
Exact Mass1209.96
IUPAC Name5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
SMILESC=CC1=NC(C(C)(C)C)=CC1.C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1ncc(C(C)(C)C)[nH]1.C=Cc1ncc(C(C)(C)C)n1C
InChIInChI=1S/C10H16N2.5C10H15N.2C9H14N2/c1-6-9-11-7-8(12(9)5)10(2,3)4;1-5-9-6-8(7-11-9)10(2,3)4;2*1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-8-6-7-9(11-8)10(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4/h6-7H,1H2,2-5H3;3*5-6H,1,7H2,2-4H3;2*5,7H,1,6H2,2-4H3;2*5-6H,1H2,2-4H3,(H,10,11)
InChIKeyUJMSUXGKOHEUHZ-UHFFFAOYSA-N
XLogP20.75
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.89
LogP ≤ 520.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole) with MolForge

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Launch Full Analysis

Related Compounds

4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole
CID 70736676
2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
CID 95218470
3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-1-ethyl-5-methylpyrazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyltriazole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole
CID 162107385
3,5-dimethyl-4-[3-[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]propyl]-1H-pyrazole
CID 50965339
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 50976606
4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole
CID 50979592
3'-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5'-phenyl-1-propyl-1H,3'H-2,4'-biimidazole
CID 50982924
5-tert-butyl-3-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-imidazol-2-yl}-1H-pyrazole
CID 56748200
2'-butyl-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 56863124
2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole
CID 91053214
5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole
CID 126680914
1-[3-[1-[3-(5-methyl-1H-pyrazol-3-yl)butyl]imidazol-4-yl]butyl]-3-propan-2-yl-1,2,4-triazole
CID 132145995

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)?
The IUPAC name of 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole) (CID 161109500) is 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole).
What is the SMILES notation for 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)?
The canonical SMILES for 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole) is C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC(C(C)(C)C)=C1.C=CC1=NCC=C1C(C)(C)C.C=CC1=NCC=C1C(C)(C)C.C=Cc1cc(C(C)(C)C)[nH]n1.C=Cc1ncc(C(C)(C)C)[nH]1.C=Cc1ncc(C(C)(C)C)n1C.
What is the InChIKey of 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)?
The InChIKey is UJMSUXGKOHEUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.5C10H15N.2C9H14N2/c1-6-9-11-7-8(12(9)5)10(2,3)4;1-5-9-6-8(7-11-9)10(2,3)4;2*1-5-9-8(6-7-11-9)10(2,3)4;2*1-5-8-6-7-9(11-8)10(2,3)4;1-5-8-10-6-7(11-8)9(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4/h6-7H,1H2,2-5H3;3*5-6H,1,7H2,2-4H3;2*5,7H,1,6H2,2-4H3;2*5-6H,1H2,2-4H3,(H,10,11).
What are the key properties of 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole)?
5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole) has a molecular weight of 1210.89 g/mol, XLogP of 20.75, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethenyl-1H-imidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole) is sourced from PubChem (CID 161109500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).