About 2,3,3a,4-tetrahydro-1H-benzimidazole
2,3,3a,4-tetrahydro-1H-benzimidazole (PubChem CID 19001503) has the molecular formula C7H10N2
and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-benzimidazole.
Molecular Properties
| Compound Name | 2,3,3a,4-tetrahydro-1H-benzimidazole |
|---|
| PubChem CID | 19001503 |
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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 | 2,3,3a,4-tetrahydro-1H-benzimidazole |
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| SMILES | C1=CCC2NCNC2=C1 |
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| InChI | InChI=1S/C7H10N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,7-9H,4-5H2 |
|---|
| InChIKey | OJHWPOJTJKJBLA-UHFFFAOYSA-N |
|---|
| XLogP | 0.35 |
|---|
| TPSA | 24.06 Ų |
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| H-Bond Donors | 2 |
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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 | 0.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-benzimidazole?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-benzimidazole (CID 19001503) is 2,3,3a,4-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-benzimidazole is C1=CCC2NCNC2=C1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-benzimidazole?
The InChIKey is OJHWPOJTJKJBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-4-7-6(3-1)8-5-9-7/h1-3,7-9H,4-5H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-benzimidazole?
2,3,3a,4-tetrahydro-1H-benzimidazole has a molecular weight of 122.17 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 19001503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).