ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate

C13H16N2O2 — CID 14221153

IUPACethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C13H16N2O2/c1-4-17-13(16)7-12-14-10-5-8(2)9(3)6-11(10)15-12/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyHJEFOTGDLMGZFW-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.29
Rot. Bonds3

About ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate

ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate (PubChem CID 14221153) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate
PubChem CID14221153
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Nameethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C13H16N2O2/c1-4-17-13(16)7-12-14-10-5-8(2)9(3)6-11(10)15-12/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyHJEFOTGDLMGZFW-UHFFFAOYSA-N
XLogP2.29
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate (CID 14221153) is ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate is CCOC(=O)Cc1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate?
The InChIKey is HJEFOTGDLMGZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-17-13(16)7-12-14-10-5-8(2)9(3)6-11(10)15-12/h5-6H,4,7H2,1-3H3,(H,14,15).
What are the key properties of ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate?
ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate has a molecular weight of 232.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate is sourced from PubChem (CID 14221153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).