4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one

C11H13N3O2 — CID 84684578

IUPAC4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(OC3CCNC3)c2[nH]1
InChIInChI=1S/C11H13N3O2/c15-11-13-8-2-1-3-9(10(8)14-11)16-7-4-5-12-6-7/h1-3,7,12H,4-6H2,(H2,13,14,15)
InChIKeyFBYHIKWYNFFGLK-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.60
Rot. Bonds2

About 4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one

4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one (PubChem CID 84684578) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one
PubChem CID84684578
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cccc(OC3CCNC3)c2[nH]1
InChIInChI=1S/C11H13N3O2/c15-11-13-8-2-1-3-9(10(8)14-11)16-7-4-5-12-6-7/h1-3,7,12H,4-6H2,(H2,13,14,15)
InChIKeyFBYHIKWYNFFGLK-UHFFFAOYSA-N
XLogP0.60
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-pyrrolidin-3-yloxy-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 4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one (CID 84684578) is 4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cccc(OC3CCNC3)c2[nH]1.
What is the InChIKey of 4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FBYHIKWYNFFGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-11-13-8-2-1-3-9(10(8)14-11)16-7-4-5-12-6-7/h1-3,7,12H,4-6H2,(H2,13,14,15).
What are the key properties of 4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one?
4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one has a molecular weight of 219.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yloxy-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 84684578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).