5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide

C13H11N5S — CID 115490107

IUPAC5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C13H11N5S/c14-12(15)11-6-5-8(7-16-11)19-13-17-9-3-1-2-4-10(9)18-13/h1-7H,(H3,14,15)(H,17,18)
InChIKeyNQUQZEWZGNJRFK-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.39
Rot. Bonds3

About 5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide

5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide (PubChem CID 115490107) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide
PubChem CID115490107
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C13H11N5S/c14-12(15)11-6-5-8(7-16-11)19-13-17-9-3-1-2-4-10(9)18-13/h1-7H,(H3,14,15)(H,17,18)
InChIKeyNQUQZEWZGNJRFK-UHFFFAOYSA-N
XLogP2.39
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.39
H-Bond Donors ≤ 53
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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Related Compounds

5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
CID 115490136
3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide
CID 62683553
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide
CID 113321384
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide
CID 62308177
(1R)-1-[5-(1H-benzimidazol-2-ylsulfanyl)-2-pyridinyl]propan-1-amine
CID 103938096
5-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboximidamide
CID 115490181
5-tert-butylsulfanylpyridine-2-carboximidamide
CID 71756587
5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide
CID 115490148
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-2-carboximidamide
CID 115490183
5-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboximidamide
CID 113321392
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide?
The IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide (CID 115490107) is 5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide?
The canonical SMILES for 5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(Sc2nc3ccccc3[nH]2)cn1.
What is the InChIKey of 5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide?
The InChIKey is NQUQZEWZGNJRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c14-12(15)11-6-5-8(7-16-11)19-13-17-9-3-1-2-4-10(9)18-13/h1-7H,(H3,14,15)(H,17,18).
What are the key properties of 5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide?
5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide has a molecular weight of 269.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide is sourced from PubChem (CID 115490107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).