1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane)

C25H54N6 — CID 157430207

IUPAC1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane)
SMILESC.C.CC(C)C.CC(C)C.CC(C)C.Cc1cnc[nH]1.Cc1ncc[nH]1.c1c[nH]cn1
InChIInChI=1S/2C4H6N2.3C4H10.C3H4N2.2CH4/c1-4-2-5-3-6-4;1-4-5-2-3-6-4;3*1-4(2)3;1-2-5-3-4-1;;/h2*2-3H,1H3,(H,5,6);3*4H,1-3H3;1-3H,(H,4,5);2*1H4
InChIKeyBQKZNIIOKDWGTJ-UHFFFAOYSA-N
MW438.75 g/mol
LogP8.11
Rot. Bonds

About 1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane)

1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane) (PubChem CID 157430207) has the molecular formula C25H54N6 and a molecular weight of 438.75 g/mol. Its IUPAC name is 1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane).

Molecular Properties

Compound Name1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane)
PubChem CID157430207
Molecular FormulaC25H54N6
Molecular Weight438.75 g/mol
Exact Mass438.44
IUPAC Name1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane)
SMILESC.C.CC(C)C.CC(C)C.CC(C)C.Cc1cnc[nH]1.Cc1ncc[nH]1.c1c[nH]cn1
InChIInChI=1S/2C4H6N2.3C4H10.C3H4N2.2CH4/c1-4-2-5-3-6-4;1-4-5-2-3-6-4;3*1-4(2)3;1-2-5-3-4-1;;/h2*2-3H,1H3,(H,5,6);3*4H,1-3H3;1-3H,(H,4,5);2*1H4
InChIKeyBQKZNIIOKDWGTJ-UHFFFAOYSA-N
XLogP8.11
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.75
LogP ≤ 58.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane)?
The IUPAC name of 1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane) (CID 157430207) is 1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane).
What is the SMILES notation for 1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane)?
The canonical SMILES for 1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane) is C.C.CC(C)C.CC(C)C.CC(C)C.Cc1cnc[nH]1.Cc1ncc[nH]1.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane)?
The InChIKey is BQKZNIIOKDWGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2.3C4H10.C3H4N2.2CH4/c1-4-2-5-3-6-4;1-4-5-2-3-6-4;3*1-4(2)3;1-2-5-3-4-1;;/h2*2-3H,1H3,(H,5,6);3*4H,1-3H3;1-3H,(H,4,5);2*1H4.
What are the key properties of 1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane)?
1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane) has a molecular weight of 438.75 g/mol, XLogP of 8.11, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;methane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;tris(2-methylpropane) is sourced from PubChem (CID 157430207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).