2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide

C13H11N5O — CID 1513

IUPAC2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ncccc3O)[nH]c2c1
InChIInChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18)
InChIKeyFQCDQFDJHSXQKY-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.61
Rot. Bonds2

About 2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide

2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide (PubChem CID 1513) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide
PubChem CID1513
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ncccc3O)[nH]c2c1
InChIInChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18)
InChIKeyFQCDQFDJHSXQKY-UHFFFAOYSA-N
XLogP1.61
TPSA111.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide (CID 1513) is 2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ncccc3O)[nH]c2c1.
What is the InChIKey of 2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is FQCDQFDJHSXQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18).
What are the key properties of 2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide?
2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 253.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-pyridinyl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 1513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).