1-ethyl-3-pyridin-2-ylbenzimidazol-2-one

C14H13N3O — CID 3021478

IUPAC1-ethyl-3-pyridin-2-ylbenzimidazol-2-one
SMILESCCn1c(=O)n(-c2ccccn2)c2ccccc21
InChIInChI=1S/C14H13N3O/c1-2-16-11-7-3-4-8-12(11)17(14(16)18)13-9-5-6-10-15-13/h3-10H,2H2,1H3
InChIKeyRVTUOJYFHCOGFR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.21
Rot. Bonds2

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

1-ethyl-3-pyridin-2-ylbenzimidazol-2-one (PubChem CID 3021478) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-ethyl-3-pyridin-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-pyridin-2-ylbenzimidazol-2-one
PubChem CID3021478
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-ethyl-3-pyridin-2-ylbenzimidazol-2-one
SMILESCCn1c(=O)n(-c2ccccn2)c2ccccc21
InChIInChI=1S/C14H13N3O/c1-2-16-11-7-3-4-8-12(11)17(14(16)18)13-9-5-6-10-15-13/h3-10H,2H2,1H3
InChIKeyRVTUOJYFHCOGFR-UHFFFAOYSA-N
XLogP2.21
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-pyridin-2-ylbenzimidazol-2-one?
The IUPAC name of 1-ethyl-3-pyridin-2-ylbenzimidazol-2-one (CID 3021478) is 1-ethyl-3-pyridin-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-pyridin-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-pyridin-2-ylbenzimidazol-2-one is CCn1c(=O)n(-c2ccccn2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-pyridin-2-ylbenzimidazol-2-one?
The InChIKey is RVTUOJYFHCOGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-16-11-7-3-4-8-12(11)17(14(16)18)13-9-5-6-10-15-13/h3-10H,2H2,1H3.
What are the key properties of 1-ethyl-3-pyridin-2-ylbenzimidazol-2-one?
1-ethyl-3-pyridin-2-ylbenzimidazol-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pyridin-2-ylbenzimidazol-2-one is sourced from PubChem (CID 3021478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).