About 1-methyl-3a,7a-dihydrobenzimidazole
1-methyl-3a,7a-dihydrobenzimidazole (PubChem CID 15762982) has the molecular formula C8H10N2
and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-methyl-3a,7a-dihydrobenzimidazole.
Molecular Properties
| Compound Name | 1-methyl-3a,7a-dihydrobenzimidazole |
|---|
| PubChem CID | 15762982 |
|---|
| Molecular Formula | C8H10N2 |
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| Molecular Weight | 134.18 g/mol |
|---|
| Exact Mass | 134.08 |
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| IUPAC Name | 1-methyl-3a,7a-dihydrobenzimidazole |
|---|
| SMILES | CN1C=NC2C=CC=CC21 |
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| InChI | InChI=1S/C8H10N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-8H,1H3 |
|---|
| InChIKey | HIMUXNHEPJWAHO-UHFFFAOYSA-N |
|---|
| XLogP | 0.82 |
|---|
| TPSA | 15.60 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 134.18 |
| LogP ≤ 5 | 0.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-3a,7a-dihydrobenzimidazole?
The IUPAC name of 1-methyl-3a,7a-dihydrobenzimidazole (CID 15762982) is 1-methyl-3a,7a-dihydrobenzimidazole.
What is the SMILES notation for 1-methyl-3a,7a-dihydrobenzimidazole?
The canonical SMILES for 1-methyl-3a,7a-dihydrobenzimidazole is CN1C=NC2C=CC=CC21.
What is the InChIKey of 1-methyl-3a,7a-dihydrobenzimidazole?
The InChIKey is HIMUXNHEPJWAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2-8H,1H3.
What are the key properties of 1-methyl-3a,7a-dihydrobenzimidazole?
1-methyl-3a,7a-dihydrobenzimidazole has a molecular weight of 134.18 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3a,7a-dihydrobenzimidazole is sourced from PubChem (CID 15762982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).