2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole

C26H26N2O2 — CID 17001338

IUPAC2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
SMILESC=CCc1ccccc1OCCCn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C26H26N2O2/c1-3-9-20-10-4-7-13-25(20)30-19-8-18-28-24-12-6-5-11-23(24)27-26(28)21-14-16-22(29-2)17-15-21/h3-7,10-17H,1,8-9,18-19H2,2H3
InChIKeyJCNZZXLDHJIZKD-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.91
Rot. Bonds9

About 2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole

2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole (PubChem CID 17001338) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
PubChem CID17001338
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
SMILESC=CCc1ccccc1OCCCn1c(-c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C26H26N2O2/c1-3-9-20-10-4-7-13-25(20)30-19-8-18-28-24-12-6-5-11-23(24)27-26(28)21-14-16-22(29-2)17-15-21/h3-7,10-17H,1,8-9,18-19H2,2H3
InChIKeyJCNZZXLDHJIZKD-UHFFFAOYSA-N
XLogP5.91
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001340
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
2-(3-chlorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17002028
2-(2-fluorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 19243390
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505
2-(2-chlorophenyl)-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 17002166
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
2-(4-methoxyphenyl)-N-[1-[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972747
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16987427
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole (CID 17001338) is 2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole is C=CCc1ccccc1OCCCn1c(-c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
The InChIKey is JCNZZXLDHJIZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-3-9-20-10-4-7-13-25(20)30-19-8-18-28-24-12-6-5-11-23(24)27-26(28)21-14-16-22(29-2)17-15-21/h3-7,10-17H,1,8-9,18-19H2,2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole?
2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole has a molecular weight of 398.51 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 17001338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).