ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate

C12H14N2O3 — CID 117340177

IUPACethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)11(15)8-4-5-9-10(6-8)14-7(2)13-9/h4-6,11,15H,3H2,1-2H3,(H,13,14)
InChIKeyBZPJFVZTADZUHQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.47
Rot. Bonds3

About ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate

ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate (PubChem CID 117340177) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
PubChem CID117340177
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nameethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C12H14N2O3/c1-3-17-12(16)11(15)8-4-5-9-10(6-8)14-7(2)13-9/h4-6,11,15H,3H2,1-2H3,(H,13,14)
InChIKeyBZPJFVZTADZUHQ-UHFFFAOYSA-N
XLogP1.47
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate 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-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053
3,4-diamino-4-(2-methyl-3H-benzimidazol-5-yl)butanoic acid
CID 116942840
methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116914786
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate
CID 117372969
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
CID 116849707
ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate
CID 117481547

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate (CID 117340177) is ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate is CCOC(=O)C(O)c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate?
The InChIKey is BZPJFVZTADZUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-17-12(16)11(15)8-4-5-9-10(6-8)14-7(2)13-9/h4-6,11,15H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate?
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate has a molecular weight of 234.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate is sourced from PubChem (CID 117340177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).