3-benzyl-1H-benzimidazol-2-one

C14H12N2O — CID 736505

IUPAC3-benzyl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C14H12N2O/c17-14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
InChIKeyAUGPRLHZAOPVIR-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.38
Rot. Bonds2

About 3-benzyl-1H-benzimidazol-2-one

3-benzyl-1H-benzimidazol-2-one (PubChem CID 736505) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-benzyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-1H-benzimidazol-2-one
PubChem CID736505
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-benzyl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C14H12N2O/c17-14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17)
InChIKeyAUGPRLHZAOPVIR-UHFFFAOYSA-N
XLogP2.38
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-1H-benzimidazol-2-one (CID 736505) is 3-benzyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1H-benzimidazol-2-one?
The InChIKey is AUGPRLHZAOPVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-15-12-8-4-5-9-13(12)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,17).
What are the key properties of 3-benzyl-1H-benzimidazol-2-one?
3-benzyl-1H-benzimidazol-2-one has a molecular weight of 224.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1H-benzimidazol-2-one is sourced from PubChem (CID 736505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).