2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid

C14H11N3O2 — CID 3164138

IUPAC2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccccn2)nc2ccccc21
InChIInChI=1S/C14H11N3O2/c18-13(19)9-17-12-7-2-1-5-10(12)16-14(17)11-6-3-4-8-15-11/h1-8H,9H2,(H,18,19)
InChIKeyBQOOVBGIRDZHNL-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.18
Rot. Bonds3

About 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid

2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid (PubChem CID 3164138) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid
PubChem CID3164138
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid
SMILESO=C(O)Cn1c(-c2ccccn2)nc2ccccc21
InChIInChI=1S/C14H11N3O2/c18-13(19)9-17-12-7-2-1-5-10(12)16-14(17)11-6-3-4-8-15-11/h1-8H,9H2,(H,18,19)
InChIKeyBQOOVBGIRDZHNL-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid (CID 3164138) is 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid is O=C(O)Cn1c(-c2ccccn2)nc2ccccc21.
What is the InChIKey of 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid?
The InChIKey is BQOOVBGIRDZHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-13(19)9-17-12-7-2-1-5-10(12)16-14(17)11-6-3-4-8-15-11/h1-8H,9H2,(H,18,19).
What are the key properties of 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid?
2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 3164138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).