[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate

C30H23ClN2O3 — CID 3124408

IUPAC[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate
SMILESO=C(OC(=Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H23ClN2O3/c31-24-15-17-25(18-16-24)35-20-19-33-27-14-8-7-13-26(27)32-29(33)21-28(22-9-3-1-4-10-22)36-30(34)23-11-5-2-6-12-23/h1-18,21H,19-20H2
InChIKeyXGWCZVLNPVOWEO-UHFFFAOYSA-N
MW494.98 g/mol
LogP7.12
Rot. Bonds8

About [2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate

[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate (PubChem CID 3124408) has the molecular formula C30H23ClN2O3 and a molecular weight of 494.98 g/mol. Its IUPAC name is [2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate.

Molecular Properties

Compound Name[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate
PubChem CID3124408
Molecular FormulaC30H23ClN2O3
Molecular Weight494.98 g/mol
Exact Mass494.14
IUPAC Name[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate
SMILESO=C(OC(=Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H23ClN2O3/c31-24-15-17-25(18-16-24)35-20-19-33-27-14-8-7-13-26(27)32-29(33)21-28(22-9-3-1-4-10-22)36-30(34)23-11-5-2-6-12-23/h1-18,21H,19-20H2
InChIKeyXGWCZVLNPVOWEO-UHFFFAOYSA-N
XLogP7.12
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.98
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate 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-[1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate
CID 3124411
[(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate
CID 5334924
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967368
1-[4-(4-chlorophenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 18879216
[(Z)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(4-fluorophenyl)ethenyl] 4-fluorobenzoate
CID 6509269
[(E)-2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-fluorophenyl)ethenyl] 2-fluorobenzoate
CID 6175325
[1-(4-methylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)ethenyl] 4-methylbenzoate
CID 2850028
N-[3-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982245
2-[(E)-2-(4-chlorophenyl)ethenyl]-1-[2-(4-propan-2-ylphenoxy)ethyl]benzimidazole
CID 16999796
1-[2-(4-chlorophenoxy)ethyl]-2-[2-(furan-2-yl)ethenyl]benzimidazole
CID 3723983
1-[2-(4-chlorophenoxy)ethyl]-2-pyridin-2-ylbenzimidazole
CID 3984875
1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
CID 611619

Frequently Asked Questions

What is the IUPAC name of [2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate?
The IUPAC name of [2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate (CID 3124408) is [2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate.
What is the SMILES notation for [2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate?
The canonical SMILES for [2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate is O=C(OC(=Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate?
The InChIKey is XGWCZVLNPVOWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN2O3/c31-24-15-17-25(18-16-24)35-20-19-33-27-14-8-7-13-26(27)32-29(33)21-28(22-9-3-1-4-10-22)36-30(34)23-11-5-2-6-12-23/h1-18,21H,19-20H2.
What are the key properties of [2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate?
[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate has a molecular weight of 494.98 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-phenylethenyl] benzoate is sourced from PubChem (CID 3124408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).