About 1,2-dimethyl-4,5-dimethylideneimidazole
1,2-dimethyl-4,5-dimethylideneimidazole (PubChem CID 135128795) has the molecular formula C7H10N2
and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,2-dimethyl-4,5-dimethylideneimidazole.
Molecular Properties
| Compound Name | 1,2-dimethyl-4,5-dimethylideneimidazole |
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| PubChem CID | 135128795 |
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| Molecular Formula | C7H10N2 |
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| Molecular Weight | 122.17 g/mol |
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| Exact Mass | 122.08 |
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| IUPAC Name | 1,2-dimethyl-4,5-dimethylideneimidazole |
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| SMILES | C=c1nc(C)n(C)c1=C |
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| InChI | InChI=1S/C7H10N2/c1-5-6(2)9(4)7(3)8-5/h1-2H2,3-4H3 |
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| InChIKey | QKTXSDYIPYTAII-UHFFFAOYSA-N |
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| XLogP | -0.45 |
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| TPSA | 17.82 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 122.17 |
| LogP ≤ 5 | -0.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1,2-dimethyl-4,5-dimethylideneimidazole?
The IUPAC name of 1,2-dimethyl-4,5-dimethylideneimidazole (CID 135128795) is 1,2-dimethyl-4,5-dimethylideneimidazole.
What is the SMILES notation for 1,2-dimethyl-4,5-dimethylideneimidazole?
The canonical SMILES for 1,2-dimethyl-4,5-dimethylideneimidazole is C=c1nc(C)n(C)c1=C.
What is the InChIKey of 1,2-dimethyl-4,5-dimethylideneimidazole?
The InChIKey is QKTXSDYIPYTAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-6(2)9(4)7(3)8-5/h1-2H2,3-4H3.
What are the key properties of 1,2-dimethyl-4,5-dimethylideneimidazole?
1,2-dimethyl-4,5-dimethylideneimidazole has a molecular weight of 122.17 g/mol, XLogP of -0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4,5-dimethylideneimidazole is sourced from PubChem (CID 135128795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).