2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole

C₁₂H₁₀N₂ — CID 125421248

About 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole

2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole (PubChem CID 125421248) has the molecular formula C₁₂H₁₀N₂ and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole.

Molecular Properties

• Compound Name: 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole
• PubChem CID: 125421248
• Molecular Formula: C₁₂H₁₀N₂
• Molecular Weight: 182.23 g/mol
• Exact Mass: 182.08
• IUPAC Name: 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole
• SMILES: C1=CCC(C2=NC3=CC=CCC3=N2)=C1
• InChI: InChI=1S/C12H10N2/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12/h1-5,7H,6,8H2
• InChIKey: VELUJGJRRCCWBH-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 24.72 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.23
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole?

The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole (CID 125421248) is 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole.

What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole?

The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole is C1=CCC(C2=NC3=CC=CCC3=N2)=C1.

What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole?

The InChIKey is VELUJGJRRCCWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12/h1-5,7H,6,8H2.

What are the key properties of 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole?

2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole has a molecular weight of 182.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopenta-1,3-dien-1-yl-4H-benzimidazole is sourced from PubChem (CID 125421248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 125421248 — identifiers, structure, computed properties (public domain)

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