1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole

C25H23ClN2O2 — CID 18878117

IUPAC1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
SMILESC=CCc1ccccc1OCc1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN2O2/c1-2-7-19-8-3-6-11-24(19)30-18-25-27-22-9-4-5-10-23(22)28(25)16-17-29-21-14-12-20(26)13-15-21/h2-6,8-15H,1,7,16-18H2
InChIKeyNLSUFKRXFJOOBV-UHFFFAOYSA-N
MW418.92 g/mol
LogP6.08
Rot. Bonds9

About 1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole

1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole (PubChem CID 18878117) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
PubChem CID18878117
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
SMILESC=CCc1ccccc1OCc1nc2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN2O2/c1-2-7-19-8-3-6-11-24(19)30-18-25-27-22-9-4-5-10-23(22)28(25)16-17-29-21-14-12-20(26)13-15-21/h2-6,8-15H,1,7,16-18H2
InChIKeyNLSUFKRXFJOOBV-UHFFFAOYSA-N
XLogP6.08
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 56.08
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

1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878122
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505
1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878085
1-(2-methylpropyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878080
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16999473
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
1-(naphthalen-1-ylmethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878101
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
2-[(3-methylphenoxy)methyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16997931
4-chloro-N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991431

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole (CID 18878117) is 1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole is C=CCc1ccccc1OCc1nc2ccccc2n1CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
The InChIKey is NLSUFKRXFJOOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-2-7-19-8-3-6-11-24(19)30-18-25-27-22-9-4-5-10-23(22)28(25)16-17-29-21-14-12-20(26)13-15-21/h2-6,8-15H,1,7,16-18H2.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole?
1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole has a molecular weight of 418.92 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 18878117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).