prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate

C17H14N2O2 — CID 91673657

IUPACprop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate
SMILESC=CCOC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H14N2O2/c1-2-11-21-17(20)13-9-7-12(8-10-13)16-18-14-5-3-4-6-15(14)19-16/h2-10H,1,11H2,(H,18,19)
InChIKeyLAAYPZLEBIJFLG-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.57
Rot. Bonds4

About prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate

prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate (PubChem CID 91673657) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate.

Molecular Properties

Compound Nameprop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate
PubChem CID91673657
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Nameprop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate
SMILESC=CCOC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C17H14N2O2/c1-2-11-21-17(20)13-9-7-12(8-10-13)16-18-14-5-3-4-6-15(14)19-16/h2-10H,1,11H2,(H,18,19)
InChIKeyLAAYPZLEBIJFLG-UHFFFAOYSA-N
XLogP3.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate?
The IUPAC name of prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate (CID 91673657) is prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate.
What is the SMILES notation for prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate?
The canonical SMILES for prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate is C=CCOC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate?
The InChIKey is LAAYPZLEBIJFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-11-21-17(20)13-9-7-12(8-10-13)16-18-14-5-3-4-6-15(14)19-16/h2-10H,1,11H2,(H,18,19).
What are the key properties of prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate?
prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate has a molecular weight of 278.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate is sourced from PubChem (CID 91673657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).