[(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate

C13H12N2O4 — CID 25424819

IUPAC[(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate
SMILESO=C(Cn1cnc2ccccc21)O[C@@H]1CCOC1=O
InChIInChI=1S/C13H12N2O4/c16-12(19-11-5-6-18-13(11)17)7-15-8-14-9-3-1-2-4-10(9)15/h1-4,8,11H,5-7H2/t11-/m1/s1
InChIKeyYRMPBISOOYFGME-LLVKDONJSA-N
MW260.25 g/mol
LogP0.89
Rot. Bonds3

About [(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate

[(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate (PubChem CID 25424819) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate
PubChem CID25424819
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate
SMILESO=C(Cn1cnc2ccccc21)O[C@@H]1CCOC1=O
InChIInChI=1S/C13H12N2O4/c16-12(19-11-5-6-18-13(11)17)7-15-8-14-9-3-1-2-4-10(9)15/h1-4,8,11H,5-7H2/t11-/m1/s1
InChIKeyYRMPBISOOYFGME-LLVKDONJSA-N
XLogP0.89
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995381
[(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 40624414
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3621863
[(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995390
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 5035462
[2-(azepan-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3692305
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 5031162
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2436915
1-(phenylsulfanylmethyl)benzimidazole
CID 1042754
cyclohexyl 4-(benzimidazol-1-yl)butanoate
CID 58743722
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2422296

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate (CID 25424819) is [(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate is O=C(Cn1cnc2ccccc21)O[C@@H]1CCOC1=O.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate?
The InChIKey is YRMPBISOOYFGME-LLVKDONJSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-12(19-11-5-6-18-13(11)17)7-15-8-14-9-3-1-2-4-10(9)15/h1-4,8,11H,5-7H2/t11-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate?
[(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate has a molecular weight of 260.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-(benzimidazol-1-yl)acetate is sourced from PubChem (CID 25424819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).