3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one

C12H12N2O3 — CID 141494092

IUPAC3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one
SMILESO=C1OCCC1Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C12H12N2O3/c15-11-8(5-6-17-11)7-14-10-4-2-1-3-9(10)13-12(14)16/h1-4,8H,5-7H2,(H,13,16)
InChIKeySRBKPRBYNPFORN-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.89
Rot. Bonds2

About 3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one

3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one (PubChem CID 141494092) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one
PubChem CID141494092
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one
SMILESO=C1OCCC1Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C12H12N2O3/c15-11-8(5-6-17-11)7-14-10-4-2-1-3-9(10)13-12(14)16/h1-4,8H,5-7H2,(H,13,16)
InChIKeySRBKPRBYNPFORN-UHFFFAOYSA-N
XLogP0.89
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one (CID 141494092) is 3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one is O=C1OCCC1Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one?
The InChIKey is SRBKPRBYNPFORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11-8(5-6-17-11)7-14-10-4-2-1-3-9(10)13-12(14)16/h1-4,8H,5-7H2,(H,13,16).
What are the key properties of 3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one?
3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one has a molecular weight of 232.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxooxolan-3-yl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 141494092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).