2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole

C25H24N2O2 — CID 16999687

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
SMILESCOc1ccc(/C=C/c2nc3ccccc3n2CCCOc2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-28-21-15-12-20(13-16-21)14-17-25-26-23-10-5-6-11-24(23)27(25)18-7-19-29-22-8-3-2-4-9-22/h2-6,8-17H,7,18-19H2,1H3/b17-14+
InChIKeyRQKBEJKOSPDGEB-SAPNQHFASA-N
MW384.48 g/mol
LogP5.68
Rot. Bonds8

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole

2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole (PubChem CID 16999687) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
PubChem CID16999687
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
SMILESCOc1ccc(/C=C/c2nc3ccccc3n2CCCOc2ccccc2)cc1
InChIInChI=1S/C25H24N2O2/c1-28-21-15-12-20(13-16-21)14-17-25-26-23-10-5-6-11-24(23)27(25)18-7-19-29-22-8-3-2-4-9-22/h2-6,8-17H,7,18-19H2,1H3/b17-14+
InChIKeyRQKBEJKOSPDGEB-SAPNQHFASA-N
XLogP5.68
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
1-[4-(4-methoxyphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999616
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
1-[4-(4-tert-butylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999729
2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
CID 5088588
1-(3-naphthalen-2-yloxypropyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879224
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
CID 6266974
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999714
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879216
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16999920
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole (CID 16999687) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole is COc1ccc(/C=C/c2nc3ccccc3n2CCCOc2ccccc2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole?
The InChIKey is RQKBEJKOSPDGEB-SAPNQHFASA-N. The full InChI is InChI=1S/C25H24N2O2/c1-28-21-15-12-20(13-16-21)14-17-25-26-23-10-5-6-11-24(23)27(25)18-7-19-29-22-8-3-2-4-9-22/h2-6,8-17H,7,18-19H2,1H3/b17-14+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole?
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole has a molecular weight of 384.48 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole is sourced from PubChem (CID 16999687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).