4-ethenyl-2H-benzimidazole

C9H8N2 — CID 89088617

IUPAC4-ethenyl-2H-benzimidazole
SMILESC=Cc1cccc2c1=NCN=2
InChIInChI=1S/C9H8N2/c1-2-7-4-3-5-8-9(7)11-6-10-8/h2-5H,1,6H2
InChIKeyNFBDTJQXSSFIAI-UHFFFAOYSA-N
MW144.18 g/mol
LogP0.54
Rot. Bonds1

About 4-ethenyl-2H-benzimidazole

4-ethenyl-2H-benzimidazole (PubChem CID 89088617) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 4-ethenyl-2H-benzimidazole.

Molecular Properties

Compound Name4-ethenyl-2H-benzimidazole
PubChem CID89088617
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name4-ethenyl-2H-benzimidazole
SMILESC=Cc1cccc2c1=NCN=2
InChIInChI=1S/C9H8N2/c1-2-7-4-3-5-8-9(7)11-6-10-8/h2-5H,1,6H2
InChIKeyNFBDTJQXSSFIAI-UHFFFAOYSA-N
XLogP0.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2H-benzimidazole?
The IUPAC name of 4-ethenyl-2H-benzimidazole (CID 89088617) is 4-ethenyl-2H-benzimidazole.
What is the SMILES notation for 4-ethenyl-2H-benzimidazole?
The canonical SMILES for 4-ethenyl-2H-benzimidazole is C=Cc1cccc2c1=NCN=2.
What is the InChIKey of 4-ethenyl-2H-benzimidazole?
The InChIKey is NFBDTJQXSSFIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-7-4-3-5-8-9(7)11-6-10-8/h2-5H,1,6H2.
What are the key properties of 4-ethenyl-2H-benzimidazole?
4-ethenyl-2H-benzimidazole has a molecular weight of 144.18 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2H-benzimidazole is sourced from PubChem (CID 89088617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).