[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate

C17H15ClN2O3 — CID 4885445

IUPAC[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate
SMILESO=C(OCc1nc2ccc(Cl)cc2n1CCO)c1ccccc1
InChIInChI=1S/C17H15ClN2O3/c18-13-6-7-14-15(10-13)20(8-9-21)16(19-14)11-23-17(22)12-4-2-1-3-5-12/h1-7,10,21H,8-9,11H2
InChIKeyWXGFHSBCIGVEFZ-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.04
Rot. Bonds5

About [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate

[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate (PubChem CID 4885445) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate.

Molecular Properties

Compound Name[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate
PubChem CID4885445
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate
SMILESO=C(OCc1nc2ccc(Cl)cc2n1CCO)c1ccccc1
InChIInChI=1S/C17H15ClN2O3/c18-13-6-7-14-15(10-13)20(8-9-21)16(19-14)11-23-17(22)12-4-2-1-3-5-12/h1-7,10,21H,8-9,11H2
InChIKeyWXGFHSBCIGVEFZ-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 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 [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate?
The IUPAC name of [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate (CID 4885445) is [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate.
What is the SMILES notation for [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate?
The canonical SMILES for [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate is O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1ccccc1.
What is the InChIKey of [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate?
The InChIKey is WXGFHSBCIGVEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-13-6-7-14-15(10-13)20(8-9-21)16(19-14)11-23-17(22)12-4-2-1-3-5-12/h1-7,10,21H,8-9,11H2.
What are the key properties of [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate?
[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate has a molecular weight of 330.77 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl benzoate is sourced from PubChem (CID 4885445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).