3-(6-chloropyrazin-2-yl)benzimidazol-5-amine

C11H8ClN5 — CID 58217094

IUPAC3-(6-chloropyrazin-2-yl)benzimidazol-5-amine
SMILESNc1ccc2ncn(-c3cncc(Cl)n3)c2c1
InChIInChI=1S/C11H8ClN5/c12-10-4-14-5-11(16-10)17-6-15-8-2-1-7(13)3-9(8)17/h1-6H,13H2
InChIKeyFFBHTJIVUMHQKR-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.05
Rot. Bonds1

About 3-(6-chloropyrazin-2-yl)benzimidazol-5-amine

3-(6-chloropyrazin-2-yl)benzimidazol-5-amine (PubChem CID 58217094) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-(6-chloropyrazin-2-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name3-(6-chloropyrazin-2-yl)benzimidazol-5-amine
PubChem CID58217094
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name3-(6-chloropyrazin-2-yl)benzimidazol-5-amine
SMILESNc1ccc2ncn(-c3cncc(Cl)n3)c2c1
InChIInChI=1S/C11H8ClN5/c12-10-4-14-5-11(16-10)17-6-15-8-2-1-7(13)3-9(8)17/h1-6H,13H2
InChIKeyFFBHTJIVUMHQKR-UHFFFAOYSA-N
XLogP2.05
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrazin-2-yl)benzimidazol-5-amine?
The IUPAC name of 3-(6-chloropyrazin-2-yl)benzimidazol-5-amine (CID 58217094) is 3-(6-chloropyrazin-2-yl)benzimidazol-5-amine.
What is the SMILES notation for 3-(6-chloropyrazin-2-yl)benzimidazol-5-amine?
The canonical SMILES for 3-(6-chloropyrazin-2-yl)benzimidazol-5-amine is Nc1ccc2ncn(-c3cncc(Cl)n3)c2c1.
What is the InChIKey of 3-(6-chloropyrazin-2-yl)benzimidazol-5-amine?
The InChIKey is FFBHTJIVUMHQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-10-4-14-5-11(16-10)17-6-15-8-2-1-7(13)3-9(8)17/h1-6H,13H2.
What are the key properties of 3-(6-chloropyrazin-2-yl)benzimidazol-5-amine?
3-(6-chloropyrazin-2-yl)benzimidazol-5-amine has a molecular weight of 245.67 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrazin-2-yl)benzimidazol-5-amine is sourced from PubChem (CID 58217094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).