2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide

C13H12N6 — CID 22125515

IUPAC2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cnc(C)cn3)[nH]c2c1
InChIInChI=1S/C13H12N6/c1-7-5-17-11(6-16-7)13-18-9-3-2-8(12(14)15)4-10(9)19-13/h2-6H,1H3,(H3,14,15)(H,18,19)
InChIKeyUENRBRKLAJMQQX-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.61
Rot. Bonds2

About 2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide

2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide (PubChem CID 22125515) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide
PubChem CID22125515
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3cnc(C)cn3)[nH]c2c1
InChIInChI=1S/C13H12N6/c1-7-5-17-11(6-16-7)13-18-9-3-2-8(12(14)15)4-10(9)19-13/h2-6H,1H3,(H3,14,15)(H,18,19)
InChIKeyUENRBRKLAJMQQX-UHFFFAOYSA-N
XLogP1.61
TPSA104.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.61
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide (CID 22125515) is 2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3cnc(C)cn3)[nH]c2c1.
What is the InChIKey of 2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is UENRBRKLAJMQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-7-5-17-11(6-16-7)13-18-9-3-2-8(12(14)15)4-10(9)19-13/h2-6H,1H3,(H3,14,15)(H,18,19).
What are the key properties of 2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide?
2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 252.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 22125515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).