ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate

C17H17N3O2 — CID 4782702

IUPACethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2CC
InChIInChI=1S/C17H17N3O2/c1-3-20-15-9-8-12(17(21)22-4-2)11-14(15)19-16(20)13-7-5-6-10-18-13/h5-11H,3-4H2,1-2H3
InChIKeyQJXLZAVWMZPJAB-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.29
Rot. Bonds4

About ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate

ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate (PubChem CID 4782702) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate
PubChem CID4782702
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Nameethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2CC
InChIInChI=1S/C17H17N3O2/c1-3-20-15-9-8-12(17(21)22-4-2)11-14(15)19-16(20)13-7-5-6-10-18-13/h5-11H,3-4H2,1-2H3
InChIKeyQJXLZAVWMZPJAB-UHFFFAOYSA-N
XLogP3.29
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate (CID 4782702) is ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2CC.
What is the InChIKey of ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate?
The InChIKey is QJXLZAVWMZPJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-20-15-9-8-12(17(21)22-4-2)11-14(15)19-16(20)13-7-5-6-10-18-13/h5-11H,3-4H2,1-2H3.
What are the key properties of ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate?
ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate is sourced from PubChem (CID 4782702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).