methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate

C15H13N3O2 — CID 91219008

IUPACmethyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc2cccc(-c3ccccn3)c21
InChIInChI=1S/C15H13N3O2/c1-20-14(19)9-18-10-17-13-7-4-5-11(15(13)18)12-6-2-3-8-16-12/h2-8,10H,9H2,1H3
InChIKeyDJPRXVKNFCLMGG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.27
Rot. Bonds3

About methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate

methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate (PubChem CID 91219008) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate
PubChem CID91219008
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate
SMILESCOC(=O)Cn1cnc2cccc(-c3ccccn3)c21
InChIInChI=1S/C15H13N3O2/c1-20-14(19)9-18-10-17-13-7-4-5-11(15(13)18)12-6-2-3-8-16-12/h2-8,10H,9H2,1H3
InChIKeyDJPRXVKNFCLMGG-UHFFFAOYSA-N
XLogP2.27
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate?
The IUPAC name of methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate (CID 91219008) is methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate?
The canonical SMILES for methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate is COC(=O)Cn1cnc2cccc(-c3ccccn3)c21.
What is the InChIKey of methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate?
The InChIKey is DJPRXVKNFCLMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-14(19)9-18-10-17-13-7-4-5-11(15(13)18)12-6-2-3-8-16-12/h2-8,10H,9H2,1H3.
What are the key properties of methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate?
methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate has a molecular weight of 267.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-pyridin-2-ylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 91219008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).