ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate

C16H15N3O2 — CID 16644397

IUPACethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1c(-c2cccnc2)nc2ccccc21
InChIInChI=1S/C16H15N3O2/c1-2-21-15(20)11-19-14-8-4-3-7-13(14)18-16(19)12-6-5-9-17-10-12/h3-10H,2,11H2,1H3
InChIKeyBQFRJZMGVAZOHN-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.66
Rot. Bonds4

About ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate

ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate (PubChem CID 16644397) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
PubChem CID16644397
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
SMILESCCOC(=O)Cn1c(-c2cccnc2)nc2ccccc21
InChIInChI=1S/C16H15N3O2/c1-2-21-15(20)11-19-14-8-4-3-7-13(14)18-16(19)12-6-5-9-17-10-12/h3-10H,2,11H2,1H3
InChIKeyBQFRJZMGVAZOHN-UHFFFAOYSA-N
XLogP2.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate (CID 16644397) is ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate is CCOC(=O)Cn1c(-c2cccnc2)nc2ccccc21.
What is the InChIKey of ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate?
The InChIKey is BQFRJZMGVAZOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-15(20)11-19-14-8-4-3-7-13(14)18-16(19)12-6-5-9-17-10-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate?
ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate has a molecular weight of 281.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 16644397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).