6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole

C17H16N2O2 — CID 25050335

IUPAC6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole
SMILESCOc1cc(/C=C\c2ccc3nc[nH]c3c2)cc(OC)c1
InChIInChI=1S/C17H16N2O2/c1-20-14-7-13(8-15(10-14)21-2)4-3-12-5-6-16-17(9-12)19-11-18-16/h3-11H,1-2H3,(H,18,19)/b4-3-
InChIKeyJFMCZWIZWKPPBX-ARJAWSKDSA-N
MW280.33 g/mol
LogP3.75
Rot. Bonds4

About 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole

6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole (PubChem CID 25050335) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole
PubChem CID25050335
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole
SMILESCOc1cc(/C=C\c2ccc3nc[nH]c3c2)cc(OC)c1
InChIInChI=1S/C17H16N2O2/c1-20-14-7-13(8-15(10-14)21-2)4-3-12-5-6-16-17(9-12)19-11-18-16/h3-11H,1-2H3,(H,18,19)/b4-3-
InChIKeyJFMCZWIZWKPPBX-ARJAWSKDSA-N
XLogP3.75
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole?
The IUPAC name of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole (CID 25050335) is 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole.
What is the SMILES notation for 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole?
The canonical SMILES for 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole is COc1cc(/C=C\c2ccc3nc[nH]c3c2)cc(OC)c1.
What is the InChIKey of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole?
The InChIKey is JFMCZWIZWKPPBX-ARJAWSKDSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-14-7-13(8-15(10-14)21-2)4-3-12-5-6-16-17(9-12)19-11-18-16/h3-11H,1-2H3,(H,18,19)/b4-3-.
What are the key properties of 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole?
6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole has a molecular weight of 280.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-benzimidazole is sourced from PubChem (CID 25050335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).