1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one

C14H13N3O2 — CID 22922573

IUPAC1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one
SMILESCCOn1c(=O)n(-c2ccccn2)c2ccccc21
InChIInChI=1S/C14H13N3O2/c1-2-19-17-12-8-4-3-7-11(12)16(14(17)18)13-9-5-6-10-15-13/h3-10H,2H2,1H3
InChIKeyXLXMMBXTTIVYFY-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.64
Rot. Bonds3

About 1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one

1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one (PubChem CID 22922573) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one
PubChem CID22922573
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one
SMILESCCOn1c(=O)n(-c2ccccn2)c2ccccc21
InChIInChI=1S/C14H13N3O2/c1-2-19-17-12-8-4-3-7-11(12)16(14(17)18)13-9-5-6-10-15-13/h3-10H,2H2,1H3
InChIKeyXLXMMBXTTIVYFY-UHFFFAOYSA-N
XLogP1.64
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxy-3-pyridin-2-yl-1H-benzimidazol-2-one
CID 54505929
4-pyridin-2-yl-1,2,4-dithiazolidine-3,5-dione
CID 163929369
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one
CID 172507154
4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 23823306
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole
CID 22736777
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-1-pyridin-2-ylbenzimidazol-2-one
CID 172507709
methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate
CID 132539705
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-pyridin-2-yl-3-(trideuteriomethyl)benzimidazol-2-one
CID 172507219
2-pyridin-2-yl-1,2-thiazol-3-one
CID 44564009
1-(2-amino-3-methylphenyl)-5-bromo-3-pyridin-2-ylbenzimidazol-2-one
CID 129278736
1-[3-(4-tert-butylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-one
CID 139050275
2-(2-methylpropyl)-1-pyridin-2-ylbenzimidazole
CID 21050242

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one?
The IUPAC name of 1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one (CID 22922573) is 1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one is CCOn1c(=O)n(-c2ccccn2)c2ccccc21.
What is the InChIKey of 1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one?
The InChIKey is XLXMMBXTTIVYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-19-17-12-8-4-3-7-11(12)16(14(17)18)13-9-5-6-10-15-13/h3-10H,2H2,1H3.
What are the key properties of 1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one?
1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-pyridin-2-ylbenzimidazol-2-one is sourced from PubChem (CID 22922573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).