2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid

C16H14N2O3 — CID 6472386

IUPAC2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)n(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O3/c19-15(20)11-18-14-9-5-4-8-13(14)17(16(18)21)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKeyPZJUFBBUPVLSNH-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.94
Rot. Bonds4

About 2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid

2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid (PubChem CID 6472386) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid
PubChem CID6472386
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)n(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O3/c19-15(20)11-18-14-9-5-4-8-13(14)17(16(18)21)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKeyPZJUFBBUPVLSNH-UHFFFAOYSA-N
XLogP1.94
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid (CID 6472386) is 2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid is O=C(O)Cn1c(=O)n(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid?
The InChIKey is PZJUFBBUPVLSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(20)11-18-14-9-5-4-8-13(14)17(16(18)21)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20).
What are the key properties of 2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid?
2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid has a molecular weight of 282.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-oxobenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 6472386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).