5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one

C14H17N3O2 — CID 116870825

IUPAC5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C3(C4CCCN4)COC3)cc2[nH]1
InChIInChI=1S/C14H17N3O2/c18-13-16-10-4-3-9(6-11(10)17-13)14(7-19-8-14)12-2-1-5-15-12/h3-4,6,12,15H,1-2,5,7-8H2,(H2,16,17,18)
InChIKeyBXFNRNJVRKOUNJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.88
Rot. Bonds2

About 5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one

5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116870825) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116870825
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C3(C4CCCN4)COC3)cc2[nH]1
InChIInChI=1S/C14H17N3O2/c18-13-16-10-4-3-9(6-11(10)17-13)14(7-19-8-14)12-2-1-5-15-12/h3-4,6,12,15H,1-2,5,7-8H2,(H2,16,17,18)
InChIKeyBXFNRNJVRKOUNJ-UHFFFAOYSA-N
XLogP0.88
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one (CID 116870825) is 5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C3(C4CCCN4)COC3)cc2[nH]1.
What is the InChIKey of 5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BXFNRNJVRKOUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-16-10-4-3-9(6-11(10)17-13)14(7-19-8-14)12-2-1-5-15-12/h3-4,6,12,15H,1-2,5,7-8H2,(H2,16,17,18).
What are the key properties of 5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one?
5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116870825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).