2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole

C22H20N2O2 — CID 17000165

IUPAC2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
SMILESC=CCc1ccccc1OCCn1c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C22H20N2O2/c1-2-8-17-9-3-6-12-20(17)26-16-14-24-19-11-5-4-10-18(19)23-22(24)21-13-7-15-25-21/h2-7,9-13,15H,1,8,14,16H2
InChIKeyOILYVVUHGZKCJN-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.10
Rot. Bonds7

About 2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole

2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole (PubChem CID 17000165) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
PubChem CID17000165
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
SMILESC=CCc1ccccc1OCCn1c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C22H20N2O2/c1-2-8-17-9-3-6-12-20(17)26-16-14-24-19-11-5-4-10-18(19)23-22(24)21-13-7-15-25-21/h2-7,9-13,15H,1,8,14,16H2
InChIKeyOILYVVUHGZKCJN-UHFFFAOYSA-N
XLogP5.10
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-yl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 17000212
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414
N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619699
2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16999473
2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001338
2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 19243390
2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 17002166
1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878122
2-(3-chlorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17002028
2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
CID 18879439
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996797
N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 17005933

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole (CID 17000165) is 2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole is C=CCc1ccccc1OCCn1c(-c2ccco2)nc2ccccc21.
What is the InChIKey of 2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
The InChIKey is OILYVVUHGZKCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-8-17-9-3-6-12-20(17)26-16-14-24-19-11-5-4-10-18(19)23-22(24)21-13-7-15-25-21/h2-7,9-13,15H,1,8,14,16H2.
What are the key properties of 2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole has a molecular weight of 344.41 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 17000165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).