2-(benzimidazol-1-yl)ethyl 2-methylpropanoate

C13H16N2O2 — CID 166930267

IUPAC2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCn1cnc2ccccc21
InChIInChI=1S/C13H16N2O2/c1-10(2)13(16)17-8-7-15-9-14-11-5-3-4-6-12(11)15/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWTGKMINBHVGFGN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.24
Rot. Bonds4

About 2-(benzimidazol-1-yl)ethyl 2-methylpropanoate

2-(benzimidazol-1-yl)ethyl 2-methylpropanoate (PubChem CID 166930267) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
PubChem CID166930267
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCn1cnc2ccccc21
InChIInChI=1S/C13H16N2O2/c1-10(2)13(16)17-8-7-15-9-14-11-5-3-4-6-12(11)15/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWTGKMINBHVGFGN-UHFFFAOYSA-N
XLogP2.24
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
CID 58743695
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
ethyl 2-amino-4-(benzimidazol-1-yl)butanoate
CID 55144910
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate
CID 54016386
4-(benzimidazol-1-yl)-2-(propan-2-ylamino)butanamide
CID 63039363
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416
2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629
2-(benzimidazol-1-yl)ethyl (4-nitrophenyl) carbonate
CID 143009137

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)ethyl 2-methylpropanoate?
The IUPAC name of 2-(benzimidazol-1-yl)ethyl 2-methylpropanoate (CID 166930267) is 2-(benzimidazol-1-yl)ethyl 2-methylpropanoate.
What is the SMILES notation for 2-(benzimidazol-1-yl)ethyl 2-methylpropanoate?
The canonical SMILES for 2-(benzimidazol-1-yl)ethyl 2-methylpropanoate is CC(C)C(=O)OCCn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)ethyl 2-methylpropanoate?
The InChIKey is WTGKMINBHVGFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(2)13(16)17-8-7-15-9-14-11-5-3-4-6-12(11)15/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)ethyl 2-methylpropanoate?
2-(benzimidazol-1-yl)ethyl 2-methylpropanoate has a molecular weight of 232.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)ethyl 2-methylpropanoate is sourced from PubChem (CID 166930267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).