ethane;6-ethenyl-1H-benzimidazole

C11H14N2 — CID 145471752

IUPACethane;6-ethenyl-1H-benzimidazole
SMILESC=Cc1ccc2nc[nH]c2c1.CC
InChIInChI=1S/C9H8N2.C2H6/c1-2-7-3-4-8-9(5-7)11-6-10-8;1-2/h2-6H,1H2,(H,10,11);1-2H3
InChIKeyHTJPUXDSQUMJGC-UHFFFAOYSA-N
MW174.25 g/mol
LogP3.23
Rot. Bonds1

About ethane;6-ethenyl-1H-benzimidazole

ethane;6-ethenyl-1H-benzimidazole (PubChem CID 145471752) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is ethane;6-ethenyl-1H-benzimidazole.

Molecular Properties

Compound Nameethane;6-ethenyl-1H-benzimidazole
PubChem CID145471752
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Nameethane;6-ethenyl-1H-benzimidazole
SMILESC=Cc1ccc2nc[nH]c2c1.CC
InChIInChI=1S/C9H8N2.C2H6/c1-2-7-3-4-8-9(5-7)11-6-10-8;1-2/h2-6H,1H2,(H,10,11);1-2H3
InChIKeyHTJPUXDSQUMJGC-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethenyl-1H-benzimidazole?
The IUPAC name of ethane;6-ethenyl-1H-benzimidazole (CID 145471752) is ethane;6-ethenyl-1H-benzimidazole.
What is the SMILES notation for ethane;6-ethenyl-1H-benzimidazole?
The canonical SMILES for ethane;6-ethenyl-1H-benzimidazole is C=Cc1ccc2nc[nH]c2c1.CC.
What is the InChIKey of ethane;6-ethenyl-1H-benzimidazole?
The InChIKey is HTJPUXDSQUMJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C2H6/c1-2-7-3-4-8-9(5-7)11-6-10-8;1-2/h2-6H,1H2,(H,10,11);1-2H3.
What are the key properties of ethane;6-ethenyl-1H-benzimidazole?
ethane;6-ethenyl-1H-benzimidazole has a molecular weight of 174.25 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-1H-benzimidazole is sourced from PubChem (CID 145471752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).