2-(2-benzylbenzimidazol-1-yl)acetic acid

C16H14N2O2 — CID 622352

IUPAC2-(2-benzylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C16H14N2O2/c19-16(20)11-18-14-9-5-4-8-13(14)17-15(18)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKeyYGQSPVGSEYRMNB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.71
Rot. Bonds4

About 2-(2-benzylbenzimidazol-1-yl)acetic acid

2-(2-benzylbenzimidazol-1-yl)acetic acid (PubChem CID 622352) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-benzylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-benzylbenzimidazol-1-yl)acetic acid
PubChem CID622352
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(2-benzylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C16H14N2O2/c19-16(20)11-18-14-9-5-4-8-13(14)17-15(18)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKeyYGQSPVGSEYRMNB-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-benzylbenzimidazol-1-yl)acetic acid (CID 622352) is 2-(2-benzylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-benzylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-benzylbenzimidazol-1-yl)acetic acid is O=C(O)Cn1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(2-benzylbenzimidazol-1-yl)acetic acid?
The InChIKey is YGQSPVGSEYRMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(20)11-18-14-9-5-4-8-13(14)17-15(18)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20).
What are the key properties of 2-(2-benzylbenzimidazol-1-yl)acetic acid?
2-(2-benzylbenzimidazol-1-yl)acetic acid has a molecular weight of 266.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 622352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).