5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole)

C70H119N11 — CID 159510515

IUPAC5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole)
SMILESCC1=NC(C(C)(C)C)=CC1.CC1=NC(C(C)(C)C)=CC1.CC1=NCC(C(C)(C)C)=C1.CC1=NCC=C1C(C)(C)C.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C
InChIInChI=1S/C9H16N2.5C9H15N.2C8H14N2/c1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;2*1-7-8(5-6-10-7)9(2,3)4;2*1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h6H,1-5H3;3*5H,6H2,1-4H3;2*6H,5H2,1-4H3;2*5H,1-4H3,(H,9,10)
InChIKeyMANRNMUJXBIRPC-UHFFFAOYSA-N
MW1114.80 g/mol
LogP18.92
Rot. Bonds

About 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole)

5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole) (PubChem CID 159510515) has the molecular formula C70H119N11 and a molecular weight of 1114.80 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole).

Molecular Properties

Compound Name5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole)
PubChem CID159510515
Molecular FormulaC70H119N11
Molecular Weight1114.80 g/mol
Exact Mass1113.96
IUPAC Name5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole)
SMILESCC1=NC(C(C)(C)C)=CC1.CC1=NC(C(C)(C)C)=CC1.CC1=NCC(C(C)(C)C)=C1.CC1=NCC=C1C(C)(C)C.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C
InChIInChI=1S/C9H16N2.5C9H15N.2C8H14N2/c1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;2*1-7-8(5-6-10-7)9(2,3)4;2*1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h6H,1-5H3;3*5H,6H2,1-4H3;2*6H,5H2,1-4H3;2*5H,1-4H3,(H,9,10)
InChIKeyMANRNMUJXBIRPC-UHFFFAOYSA-N
XLogP18.92
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001114.80
LogP ≤ 518.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-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
3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole
CID 87699093
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
2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
CID 165008652
2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
CID 165099595
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 50976606
1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56740104
5-tert-butyl-3-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-imidazol-2-yl}-1H-pyrazole
CID 56748200
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56751111
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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole)?
The IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole) (CID 159510515) is 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole).
What is the SMILES notation for 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole)?
The canonical SMILES for 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole) is CC1=NC(C(C)(C)C)=CC1.CC1=NC(C(C)(C)C)=CC1.CC1=NCC(C(C)(C)C)=C1.CC1=NCC=C1C(C)(C)C.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.
What is the InChIKey of 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole)?
The InChIKey is MANRNMUJXBIRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.5C9H15N.2C8H14N2/c1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(6-10-7)9(2,3)4;2*1-7-8(5-6-10-7)9(2,3)4;2*1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h6H,1-5H3;3*5H,6H2,1-4H3;2*6H,5H2,1-4H3;2*5H,1-4H3,(H,9,10).
What are the key properties of 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole)?
5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole) has a molecular weight of 1114.80 g/mol, XLogP of 18.92, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-2-methyl-1H-imidazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;bis(4-tert-butyl-5-methyl-2H-pyrrole);bis(5-tert-butyl-2-methyl-3H-pyrrole) is sourced from PubChem (CID 159510515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).