4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one

C17H19N3O3 — CID 90451134

IUPAC4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one
SMILESCCOC(C)(COc1cccc2[nH]c(=O)[nH]c12)c1ccccn1
InChIInChI=1S/C17H19N3O3/c1-3-23-17(2,14-9-4-5-10-18-14)11-22-13-8-6-7-12-15(13)20-16(21)19-12/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyOQZNTZVHBBXDCK-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.58
Rot. Bonds6

About 4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one

4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one (PubChem CID 90451134) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one
PubChem CID90451134
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one
SMILESCCOC(C)(COc1cccc2[nH]c(=O)[nH]c12)c1ccccn1
InChIInChI=1S/C17H19N3O3/c1-3-23-17(2,14-9-4-5-10-18-14)11-22-13-8-6-7-12-15(13)20-16(21)19-12/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyOQZNTZVHBBXDCK-UHFFFAOYSA-N
XLogP2.58
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one (CID 90451134) is 4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one is CCOC(C)(COc1cccc2[nH]c(=O)[nH]c12)c1ccccn1.
What is the InChIKey of 4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OQZNTZVHBBXDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-23-17(2,14-9-4-5-10-18-14)11-22-13-8-6-7-12-15(13)20-16(21)19-12/h4-10H,3,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one?
4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 313.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-2-pyridin-2-ylpropoxy)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 90451134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).