5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one

C20H15N3O2 — CID 159840558

IUPAC5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1-c1ccncc1
InChIInChI=1S/C20H15N3O2/c24-19(12-13-5-6-17-18(11-13)23-20(25)22-17)16-4-2-1-3-15(16)14-7-9-21-10-8-14/h1-11H,12H2,(H2,22,23,25)
InChIKeyNOPUJVRHMSOXMM-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.34
Rot. Bonds4

About 5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 159840558) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID159840558
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1-c1ccncc1
InChIInChI=1S/C20H15N3O2/c24-19(12-13-5-6-17-18(11-13)23-20(25)22-17)16-4-2-1-3-15(16)14-7-9-21-10-8-14/h1-11H,12H2,(H2,22,23,25)
InChIKeyNOPUJVRHMSOXMM-UHFFFAOYSA-N
XLogP3.34
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 159840558) is 5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one is O=C(Cc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1-c1ccncc1.
What is the InChIKey of 5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NOPUJVRHMSOXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19(12-13-5-6-17-18(11-13)23-20(25)22-17)16-4-2-1-3-15(16)14-7-9-21-10-8-14/h1-11H,12H2,(H2,22,23,25).
What are the key properties of 5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 329.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-oxo-2-(2-pyridin-4-ylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 159840558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).