Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole

C₁₄H₂₆N₂ — CID 177037156

About Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole

Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole (PubChem CID 177037156) has the molecular formula C₁₄H₂₆N₂ and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole.

Molecular Properties

• Compound Name: Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole
• PubChem CID: 177037156
• Molecular Formula: C₁₄H₂₆N₂
• Molecular Weight: 222.38 g/mol
• Exact Mass: 222.21
• IUPAC Name: ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole
• SMILES: CC.CC.CC(C)C1N=C2C=CC=CC2N1
• InChI: InChI=1S/C10H14N2.2C2H6/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;2*1-2/h3-8,10-11H,1-2H3;2*1-2H3
• InChIKey: YVWKMARFKHGOJZ-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.38
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole?

The IUPAC name of Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole (CID 177037156) is ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole.

What is the SMILES notation for Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole?

The canonical SMILES for Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole is CC.CC.CC(C)C1N=C2C=CC=CC2N1.

What is the InChIKey of Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole?

The InChIKey is YVWKMARFKHGOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2C2H6/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;2*1-2/h3-8,10-11H,1-2H3;2*1-2H3.

What are the key properties of Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole?

Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole has a molecular weight of 222.38 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;2-propan-2-yl-2,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 177037156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177037156 — identifiers, structure, computed properties (public domain)

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