3-benzyl-4-hydroxy-1H-benzimidazol-2-one

C14H12N2O2 — CID 117209028

IUPAC3-benzyl-4-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1Cc1ccccc1
InChIInChI=1S/C14H12N2O2/c17-12-8-4-7-11-13(12)16(14(18)15-11)9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,18)
InChIKeyNDRXPFGRQWONIE-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.08
Rot. Bonds2

About 3-benzyl-4-hydroxy-1H-benzimidazol-2-one

3-benzyl-4-hydroxy-1H-benzimidazol-2-one (PubChem CID 117209028) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-1H-benzimidazol-2-one
PubChem CID117209028
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-benzyl-4-hydroxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1Cc1ccccc1
InChIInChI=1S/C14H12N2O2/c17-12-8-4-7-11-13(12)16(14(18)15-11)9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,18)
InChIKeyNDRXPFGRQWONIE-UHFFFAOYSA-N
XLogP2.08
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-1H-benzimidazol-2-one (CID 117209028) is 3-benzyl-4-hydroxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-1H-benzimidazol-2-one is O=c1[nH]c2cccc(O)c2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-hydroxy-1H-benzimidazol-2-one?
The InChIKey is NDRXPFGRQWONIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-12-8-4-7-11-13(12)16(14(18)15-11)9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,18).
What are the key properties of 3-benzyl-4-hydroxy-1H-benzimidazol-2-one?
3-benzyl-4-hydroxy-1H-benzimidazol-2-one has a molecular weight of 240.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117209028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).