3-benzyl-6-methoxy-1H-benzimidazol-2-one

C15H14N2O2 — CID 563662

IUPAC3-benzyl-6-methoxy-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1
InChIInChI=1S/C15H14N2O2/c1-19-12-7-8-14-13(9-12)16-15(18)17(14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,18)
InChIKeyQOGQEQWDXNQONF-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.39
Rot. Bonds3

About 3-benzyl-6-methoxy-1H-benzimidazol-2-one

3-benzyl-6-methoxy-1H-benzimidazol-2-one (PubChem CID 563662) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-benzyl-6-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-6-methoxy-1H-benzimidazol-2-one
PubChem CID563662
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-benzyl-6-methoxy-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1
InChIInChI=1S/C15H14N2O2/c1-19-12-7-8-14-13(9-12)16-15(18)17(14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,18)
InChIKeyQOGQEQWDXNQONF-UHFFFAOYSA-N
XLogP2.39
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-6-methoxy-1H-benzimidazol-2-one (CID 563662) is 3-benzyl-6-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-6-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-6-methoxy-1H-benzimidazol-2-one is COc1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-methoxy-1H-benzimidazol-2-one?
The InChIKey is QOGQEQWDXNQONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-12-7-8-14-13(9-12)16-15(18)17(14)10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of 3-benzyl-6-methoxy-1H-benzimidazol-2-one?
3-benzyl-6-methoxy-1H-benzimidazol-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 563662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).