3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide

C12H10N6S — CID 62683553

IUPAC3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C12H10N6S/c13-10(14)9-11(16-6-5-15-9)19-12-17-7-3-1-2-4-8(7)18-12/h1-6H,(H3,13,14)(H,17,18)
InChIKeyLGSYJRGXZZIXRW-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.79
Rot. Bonds3

About 3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide

3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide (PubChem CID 62683553) has the molecular formula C12H10N6S and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide
PubChem CID62683553
Molecular FormulaC12H10N6S
Molecular Weight270.32 g/mol
Exact Mass270.07
IUPAC Name3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C12H10N6S/c13-10(14)9-11(16-6-5-15-9)19-12-17-7-3-1-2-4-8(7)18-12/h1-6H,(H3,13,14)(H,17,18)
InChIKeyLGSYJRGXZZIXRW-UHFFFAOYSA-N
XLogP1.79
TPSA104.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide
CID 115490107
2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide
CID 62308177
3-(2-bromophenyl)sulfanylpyrazine-2-carboximidamide
CID 62685598
3-(3-chlorophenyl)sulfanylpyrazine-2-carboximidamide
CID 55102696
2-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 102752249
3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide
CID 60913000
5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide
CID 54965649
4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine
CID 80882654
4-(1H-benzimidazol-2-ylsulfanyl)-5-fluoropyrimidin-2-amine
CID 80882219
[4-(1H-benzimidazol-2-ylsulfanyl)-5-chloropyrimidin-2-yl]hydrazine
CID 80930355
3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pyrazine-2-carboximidamide
CID 107786044
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
CID 28602002

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide?
The IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide (CID 62683553) is 3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Sc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide?
The InChIKey is LGSYJRGXZZIXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6S/c13-10(14)9-11(16-6-5-15-9)19-12-17-7-3-1-2-4-8(7)18-12/h1-6H,(H3,13,14)(H,17,18).
What are the key properties of 3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide?
3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide has a molecular weight of 270.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide is sourced from PubChem (CID 62683553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).