5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one

C12H9N3O — CID 12850742

IUPAC5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C12H9N3O/c16-12-14-10-2-1-9(7-11(10)15-12)8-3-5-13-6-4-8/h1-7H,(H2,14,15,16)
InChIKeyGEEVQMQSWBDLIT-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.92
Rot. Bonds1

About 5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one

5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one (PubChem CID 12850742) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one
PubChem CID12850742
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3ccncc3)cc2[nH]1
InChIInChI=1S/C12H9N3O/c16-12-14-10-2-1-9(7-11(10)15-12)8-3-5-13-6-4-8/h1-7H,(H2,14,15,16)
InChIKeyGEEVQMQSWBDLIT-UHFFFAOYSA-N
XLogP1.92
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one (CID 12850742) is 5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3ccncc3)cc2[nH]1.
What is the InChIKey of 5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GEEVQMQSWBDLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-14-10-2-1-9(7-11(10)15-12)8-3-5-13-6-4-8/h1-7H,(H2,14,15,16).
What are the key properties of 5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one?
5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 211.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 12850742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).