2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide

C13H11N5 — CID 10037159

IUPAC2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C13H11N5/c14-12(15)8-4-5-9-11(7-8)18-13(17-9)10-3-1-2-6-16-10/h1-7H,(H3,14,15)(H,17,18)
InChIKeyRVIFTTGMSLOWED-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.91
Rot. Bonds2

About 2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide

2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide (PubChem CID 10037159) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide
PubChem CID10037159
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccccn3)[nH]c2c1
InChIInChI=1S/C13H11N5/c14-12(15)8-4-5-9-11(7-8)18-13(17-9)10-3-1-2-6-16-10/h1-7H,(H3,14,15)(H,17,18)
InChIKeyRVIFTTGMSLOWED-UHFFFAOYSA-N
XLogP1.91
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-pyridin-2-yl-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide (CID 10037159) is 2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ccccn3)[nH]c2c1.
What is the InChIKey of 2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide?
The InChIKey is RVIFTTGMSLOWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c14-12(15)8-4-5-9-11(7-8)18-13(17-9)10-3-1-2-6-16-10/h1-7H,(H3,14,15)(H,17,18).
What are the key properties of 2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide?
2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide has a molecular weight of 237.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 10037159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).