2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde

C13H15N3O2 — CID 59708343

IUPAC2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde
SMILESO=CCn1c(=O)n(C2CCNC2)c2ccccc21
InChIInChI=1S/C13H15N3O2/c17-8-7-15-11-3-1-2-4-12(11)16(13(15)18)10-5-6-14-9-10/h1-4,8,10,14H,5-7,9H2
InChIKeyNRSQMNYDVSPGIG-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.54
Rot. Bonds3

About 2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde

2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde (PubChem CID 59708343) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde
PubChem CID59708343
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde
SMILESO=CCn1c(=O)n(C2CCNC2)c2ccccc21
InChIInChI=1S/C13H15N3O2/c17-8-7-15-11-3-1-2-4-12(11)16(13(15)18)10-5-6-14-9-10/h1-4,8,10,14H,5-7,9H2
InChIKeyNRSQMNYDVSPGIG-UHFFFAOYSA-N
XLogP0.54
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde?
The IUPAC name of 2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde (CID 59708343) is 2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde is O=CCn1c(=O)n(C2CCNC2)c2ccccc21.
What is the InChIKey of 2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde?
The InChIKey is NRSQMNYDVSPGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-8-7-15-11-3-1-2-4-12(11)16(13(15)18)10-5-6-14-9-10/h1-4,8,10,14H,5-7,9H2.
What are the key properties of 2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde?
2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde has a molecular weight of 245.28 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-pyrrolidin-3-ylbenzimidazol-1-yl)acetaldehyde is sourced from PubChem (CID 59708343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).