7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one

C12H15N3O2 — CID 117206376

IUPAC7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one
SMILESCN1CCCC1n1c(=O)[nH]c2c(O)cccc21
InChIInChI=1S/C12H15N3O2/c1-14-7-3-6-10(14)15-8-4-2-5-9(16)11(8)13-12(15)17/h2,4-5,10,16H,3,6-7H2,1H3,(H,13,17)
InChIKeyOHSHRSAQOKIICL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.26
Rot. Bonds1

About 7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one

7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one (PubChem CID 117206376) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one
PubChem CID117206376
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one
SMILESCN1CCCC1n1c(=O)[nH]c2c(O)cccc21
InChIInChI=1S/C12H15N3O2/c1-14-7-3-6-10(14)15-8-4-2-5-9(16)11(8)13-12(15)17/h2,4-5,10,16H,3,6-7H2,1H3,(H,13,17)
InChIKeyOHSHRSAQOKIICL-UHFFFAOYSA-N
XLogP1.26
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one (CID 117206376) is 7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one is CN1CCCC1n1c(=O)[nH]c2c(O)cccc21.
What is the InChIKey of 7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The InChIKey is OHSHRSAQOKIICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14-7-3-6-10(14)15-8-4-2-5-9(16)11(8)13-12(15)17/h2,4-5,10,16H,3,6-7H2,1H3,(H,13,17).
What are the key properties of 7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).