5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one

C14H17N3O2 — CID 21493453

IUPAC5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one
SMILESCCOc1ccc2[nH]c(=O)n(C3=CCNCC3)c2c1
InChIInChI=1S/C14H17N3O2/c1-2-19-11-3-4-12-13(9-11)17(14(18)16-12)10-5-7-15-8-6-10/h3-5,9,15H,2,6-8H2,1H3,(H,16,18)
InChIKeyZMGJECYIQWYDLA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.56
Rot. Bonds3

About 5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one

5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one (PubChem CID 21493453) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one
PubChem CID21493453
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one
SMILESCCOc1ccc2[nH]c(=O)n(C3=CCNCC3)c2c1
InChIInChI=1S/C14H17N3O2/c1-2-19-11-3-4-12-13(9-11)17(14(18)16-12)10-5-7-15-8-6-10/h3-5,9,15H,2,6-8H2,1H3,(H,16,18)
InChIKeyZMGJECYIQWYDLA-UHFFFAOYSA-N
XLogP1.56
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one?
The IUPAC name of 5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one (CID 21493453) is 5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one is CCOc1ccc2[nH]c(=O)n(C3=CCNCC3)c2c1.
What is the InChIKey of 5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one?
The InChIKey is ZMGJECYIQWYDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-11-3-4-12-13(9-11)17(14(18)16-12)10-5-7-15-8-6-10/h3-5,9,15H,2,6-8H2,1H3,(H,16,18).
What are the key properties of 5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one?
5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 21493453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).