5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one

C11H13N3O2 — CID 117207966

IUPAC5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(O)cc2n1C1CCCN1
InChIInChI=1S/C11H13N3O2/c15-7-3-4-8-9(6-7)14(11(16)13-8)10-2-1-5-12-10/h3-4,6,10,12,15H,1-2,5H2,(H,13,16)
InChIKeyFNMLJVJCKNTKMD-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.92
Rot. Bonds1

About 5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one

5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one (PubChem CID 117207966) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
PubChem CID117207966
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(O)cc2n1C1CCCN1
InChIInChI=1S/C11H13N3O2/c15-7-3-4-8-9(6-7)14(11(16)13-8)10-2-1-5-12-10/h3-4,6,10,12,15H,1-2,5H2,(H,13,16)
InChIKeyFNMLJVJCKNTKMD-UHFFFAOYSA-N
XLogP0.92
TPSA70.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one (CID 117207966) is 5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one is O=c1[nH]c2ccc(O)cc2n1C1CCCN1.
What is the InChIKey of 5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one?
The InChIKey is FNMLJVJCKNTKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-7-3-4-8-9(6-7)14(11(16)13-8)10-2-1-5-12-10/h3-4,6,10,12,15H,1-2,5H2,(H,13,16).
What are the key properties of 5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one?
5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one has a molecular weight of 219.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 117207966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).