2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole

C26H26N2O — CID 16999473

IUPAC2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
SMILESC=CCc1ccccc1OCCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H26N2O/c1-2-10-22-13-6-9-16-25(22)29-20-19-28-24-15-8-7-14-23(24)27-26(28)18-17-21-11-4-3-5-12-21/h2-9,11-16H,1,10,17-20H2
InChIKeyBIIAMKRTXGIWHY-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.63
Rot. Bonds9

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

2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole (PubChem CID 16999473) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
PubChem CID16999473
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
SMILESC=CCc1ccccc1OCCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H26N2O/c1-2-10-22-13-6-9-16-25(22)29-20-19-28-24-15-8-7-14-23(24)27-26(28)18-17-21-11-4-3-5-12-21/h2-9,11-16H,1,10,17-20H2
InChIKeyBIIAMKRTXGIWHY-UHFFFAOYSA-N
XLogP5.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414
N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980257
1-(2-naphthalen-1-yloxyethyl)-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878122
3-phenyl-N-[3-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
CID 16986104
2-[(4-phenylphenyl)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16987427
N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 17005933
N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987867
2-(furan-2-yl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 17000165
1-[2-(4-chlorophenoxy)ethyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878117
2,2-dimethyl-N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988839
1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole
CID 18879265
2-[(2-methoxyphenoxy)methyl]-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 16997505

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole (CID 16999473) is 2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole is C=CCc1ccccc1OCCn1c(CCc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
The InChIKey is BIIAMKRTXGIWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-2-10-22-13-6-9-16-25(22)29-20-19-28-24-15-8-7-14-23(24)27-26(28)18-17-21-11-4-3-5-12-21/h2-9,11-16H,1,10,17-20H2.
What are the key properties of 2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole?
2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole has a molecular weight of 382.51 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16999473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).