bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole)

C82H130N30 — CID 158520998

About bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole)

bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole) (PubChem CID 158520998) has the molecular formula C82H130N30 and a molecular weight of 1536.15 g/mol. Its IUPAC name is bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole).

Molecular Properties

• Compound Name: bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole)
• PubChem CID: 158520998
• Molecular Formula: C82H130N30
• Molecular Weight: 1536.15 g/mol
• Exact Mass: 1535.11
• IUPAC Name: bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole)
• SMILES: CC1=CC(C)=NC1.CC1=CC(C)=NC1.CC1=CCC(C)=N1.CC1=CCC(C)=N1.CC1=CN=C(C)C1.CC1=CN=C(C)C1.CC1=NC(C)=NC1.CC1=NN=C(C)C1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1cn(C)cn1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1nnn(C)n1.Cc1nnn(C)n1
• InChI: InChI=1S/6C6H9N.8C5H8N2.2C3H6N4/c4*1-5-3-6(2)7-4-5;2*1-5-3-4-6(2)7-5;2*1-5-3-7(2)4-6-5;2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;2*1-3-4-6-7(2)5-3/h2*4H,3H2,1-2H3;4*3H,4H2,1-2H3;6*3-4H,1-2H3;2*3H2,1-2H3;2*1-2H3
• InChIKey: HMFBQDSVRLFORD-UHFFFAOYSA-N
• XLogP: 15.35
• TPSA: 317.72 Ų
• H-Bond Acceptors: 30
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1536.15
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole)?

The IUPAC name of bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole) (CID 158520998) is bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole).

What is the SMILES notation for bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole)?

The canonical SMILES for bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole) is CC1=CC(C)=NC1.CC1=CC(C)=NC1.CC1=CCC(C)=N1.CC1=CCC(C)=N1.CC1=CN=C(C)C1.CC1=CN=C(C)C1.CC1=NC(C)=NC1.CC1=NN=C(C)C1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1cn(C)cn1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1nnn(C)n1.Cc1nnn(C)n1.

What is the InChIKey of bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole)?

The InChIKey is HMFBQDSVRLFORD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H9N.8C5H8N2.2C3H6N4/c4*1-5-3-6(2)7-4-5;2*1-5-3-4-6(2)7-5;2*1-5-3-7(2)4-6-5;2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;2*1-3-4-6-7(2)5-3/h2*4H,3H2,1-2H3;4*3H,4H2,1-2H3;6*3-4H,1-2H3;2*3H2,1-2H3;2*1-2H3.

What are the key properties of bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole)?

bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole) has a molecular weight of 1536.15 g/mol, XLogP of 15.35, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,4-dimethylimidazole);2,5-dimethyl-4H-imidazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-4H-pyrazole;bis(2,4-dimethyl-3H-pyrrole);bis(2,5-dimethyl-3H-pyrrole);bis(3,5-dimethyl-2H-pyrrole);bis(2,5-dimethyltetrazole) is sourced from PubChem (CID 158520998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).