ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine

C46H86N12 — CID 165047806

IUPACethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1cccnc1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1ncc[nH]1
InChIInChI=1S/2C6H7N.5C4H6N2.7C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;2*1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;7*1-2/h2*2-5H,1H3;5*2-3H,1H3,(H,5,6);7*1-2H3
InChIKeyPEIYBQFCXDAYHU-UHFFFAOYSA-N
MW807.28 g/mol
LogP13.55
Rot. Bonds

About ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine

ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine (PubChem CID 165047806) has the molecular formula C46H86N12 and a molecular weight of 807.28 g/mol. Its IUPAC name is ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine.

Molecular Properties

Compound Nameethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine
PubChem CID165047806
Molecular FormulaC46H86N12
Molecular Weight807.28 g/mol
Exact Mass806.71
IUPAC Nameethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1cccnc1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1ncc[nH]1
InChIInChI=1S/2C6H7N.5C4H6N2.7C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;2*1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;7*1-2/h2*2-5H,1H3;5*2-3H,1H3,(H,5,6);7*1-2H3
InChIKeyPEIYBQFCXDAYHU-UHFFFAOYSA-N
XLogP13.55
TPSA169.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.28
LogP ≤ 513.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole
CID 159202278
1-methylimidazole;5-methyl-1H-imidazole;4-methyl-1,2-oxazole;bis(4-methyl-1H-pyrazole);5-methyl-1H-pyrazole;4-methylpyridine;2-methylthiophene
CID 165083047
3-methylpyridine;4-methylpyridine
CID 21425791
ethane;3-methylpyridine;4-methylpyridine;4-methylpyrimidine
CID 145078126
1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane)
CID 157430207
ethane;2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 158312228
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388
ethane;3-methylpyridine;hydroiodide
CID 143140941
2-methylpyridine;3-methylpyridine;4-methylpyridine;toluene
CID 157092955
3-methylpyridine;bis(4-methylpyridine);5-methylpyrimidine;toluene
CID 159849865
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine?
The IUPAC name of ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine (CID 165047806) is ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine.
What is the SMILES notation for ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine?
The canonical SMILES for ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine is CC.CC.CC.CC.CC.CC.CC.Cc1cccnc1.Cc1ccn[nH]1.Cc1ccncc1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1ncc[nH]1.
What is the InChIKey of ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine?
The InChIKey is PEIYBQFCXDAYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.5C4H6N2.7C2H6/c1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;2*1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;7*1-2/h2*2-5H,1H3;5*2-3H,1H3,(H,5,6);7*1-2H3.
What are the key properties of ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine?
ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine has a molecular weight of 807.28 g/mol, XLogP of 13.55, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methylpyridine;4-methylpyridine is sourced from PubChem (CID 165047806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).