2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole

C19H20N2O2 — CID 168554525

IUPAC2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole
SMILESC=CCc1cc(-c2nc3ccccc3[nH]2)cc(OCC)c1OC
InChIInChI=1S/C19H20N2O2/c1-4-8-13-11-14(12-17(23-5-2)18(13)22-3)19-20-15-9-6-7-10-16(15)21-19/h4,6-7,9-12H,1,5,8H2,2-3H3,(H,20,21)
InChIKeyHDCWLCNQZBJMEB-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.37
Rot. Bonds6

About 2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole

2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole (PubChem CID 168554525) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole
PubChem CID168554525
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole
SMILESC=CCc1cc(-c2nc3ccccc3[nH]2)cc(OCC)c1OC
InChIInChI=1S/C19H20N2O2/c1-4-8-13-11-14(12-17(23-5-2)18(13)22-3)19-20-15-9-6-7-10-16(15)21-19/h4,6-7,9-12H,1,5,8H2,2-3H3,(H,20,21)
InChIKeyHDCWLCNQZBJMEB-UHFFFAOYSA-N
XLogP4.37
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole?
The IUPAC name of 2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole (CID 168554525) is 2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole is C=CCc1cc(-c2nc3ccccc3[nH]2)cc(OCC)c1OC.
What is the InChIKey of 2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole?
The InChIKey is HDCWLCNQZBJMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-8-13-11-14(12-17(23-5-2)18(13)22-3)19-20-15-9-6-7-10-16(15)21-19/h4,6-7,9-12H,1,5,8H2,2-3H3,(H,20,21).
What are the key properties of 2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole?
2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole has a molecular weight of 308.38 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)-1H-benzimidazole is sourced from PubChem (CID 168554525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).