ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate

C15H18N2O3 — CID 17000123

IUPACethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C2CCCO2)nc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-2-19-14(18)10-17-12-7-4-3-6-11(12)16-15(17)13-8-5-9-20-13/h3-4,6-7,13H,2,5,8-10H2,1H3
InChIKeyROAXLDGNOAOKGG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.45
Rot. Bonds4

About ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate

ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate (PubChem CID 17000123) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate
PubChem CID17000123
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C2CCCO2)nc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-2-19-14(18)10-17-12-7-4-3-6-11(12)16-15(17)13-8-5-9-20-13/h3-4,6-7,13H,2,5,8-10H2,1H3
InChIKeyROAXLDGNOAOKGG-UHFFFAOYSA-N
XLogP2.45
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
CID 39730241
N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000129
1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride
CID 90485862
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033298
N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000112
N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033270
1-[4-(4-methylphenoxy)butyl]-2-(oxolan-2-yl)benzimidazole
CID 17000130
ethyl 2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 40773738
ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 10376688
1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
CID 5298183
2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole
CID 51430251

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate (CID 17000123) is ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(C2CCCO2)nc2ccccc21.
What is the InChIKey of ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate?
The InChIKey is ROAXLDGNOAOKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-19-14(18)10-17-12-7-4-3-6-11(12)16-15(17)13-8-5-9-20-13/h3-4,6-7,13H,2,5,8-10H2,1H3.
What are the key properties of ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate?
ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate has a molecular weight of 274.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 17000123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).