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

C27H27ClN2O3 — CID 16998964

IUPAC2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
SMILESC=CCc1ccc(OCCn2c(C(C)Oc3ccc(Cl)cc3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C27H27ClN2O3/c1-4-7-20-10-15-25(26(18-20)31-3)32-17-16-30-24-9-6-5-8-23(24)29-27(30)19(2)33-22-13-11-21(28)12-14-22/h4-6,8-15,18-19H,1,7,16-17H2,2-3H3
InChIKeyQAVKOQMRPRJXJZ-UHFFFAOYSA-N
MW462.98 g/mol
LogP6.65
Rot. Bonds10

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

2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole (PubChem CID 16998964) has the molecular formula C27H27ClN2O3 and a molecular weight of 462.98 g/mol. Its IUPAC name is 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
PubChem CID16998964
Molecular FormulaC27H27ClN2O3
Molecular Weight462.98 g/mol
Exact Mass462.17
IUPAC Name2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
SMILESC=CCc1ccc(OCCn2c(C(C)Oc3ccc(Cl)cc3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C27H27ClN2O3/c1-4-7-20-10-15-25(26(18-20)31-3)32-17-16-30-24-9-6-5-8-23(24)29-27(30)19(2)33-22-13-11-21(28)12-14-22/h4-6,8-15,18-19H,1,7,16-17H2,2-3H3
InChIKeyQAVKOQMRPRJXJZ-UHFFFAOYSA-N
XLogP6.65
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.98
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-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

1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996236
4-chloro-N-[1-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009568
N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969998
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
CID 16998965
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 16998977
N-[1-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967516
2-(3,4-dimethoxyphenyl)-N-[1-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972911
2-(4-chlorophenoxy)-N-[3-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986433
2-(4-methoxyphenyl)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazole
CID 17001340
2-(2,4-dichlorophenyl)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazole
CID 16987782
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033
2-ethyl-N-[1-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969084

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole?
The IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole (CID 16998964) is 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole.
What is the SMILES notation for 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole?
The canonical SMILES for 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole is C=CCc1ccc(OCCn2c(C(C)Oc3ccc(Cl)cc3)nc3ccccc32)c(OC)c1.
What is the InChIKey of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole?
The InChIKey is QAVKOQMRPRJXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O3/c1-4-7-20-10-15-25(26(18-20)31-3)32-17-16-30-24-9-6-5-8-23(24)29-27(30)19(2)33-22-13-11-21(28)12-14-22/h4-6,8-15,18-19H,1,7,16-17H2,2-3H3.
What are the key properties of 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole?
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole has a molecular weight of 462.98 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole is sourced from PubChem (CID 16998964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).