1-(pyrazin-2-ylmethyl)benzimidazol-5-amine

C12H11N5 — CID 171785134

IUPAC1-(pyrazin-2-ylmethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2Cc1cnccn1
InChIInChI=1S/C12H11N5/c13-9-1-2-12-11(5-9)16-8-17(12)7-10-6-14-3-4-15-10/h1-6,8H,7,13H2
InChIKeyQUFMYQKRPOPTNH-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.46
Rot. Bonds2

About 1-(pyrazin-2-ylmethyl)benzimidazol-5-amine

1-(pyrazin-2-ylmethyl)benzimidazol-5-amine (PubChem CID 171785134) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(pyrazin-2-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(pyrazin-2-ylmethyl)benzimidazol-5-amine
PubChem CID171785134
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name1-(pyrazin-2-ylmethyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)ncn2Cc1cnccn1
InChIInChI=1S/C12H11N5/c13-9-1-2-12-11(5-9)16-8-17(12)7-10-6-14-3-4-15-10/h1-6,8H,7,13H2
InChIKeyQUFMYQKRPOPTNH-UHFFFAOYSA-N
XLogP1.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.46
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 1-(pyrazin-2-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 1-(pyrazin-2-ylmethyl)benzimidazol-5-amine (CID 171785134) is 1-(pyrazin-2-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(pyrazin-2-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 1-(pyrazin-2-ylmethyl)benzimidazol-5-amine is Nc1ccc2c(c1)ncn2Cc1cnccn1.
What is the InChIKey of 1-(pyrazin-2-ylmethyl)benzimidazol-5-amine?
The InChIKey is QUFMYQKRPOPTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-9-1-2-12-11(5-9)16-8-17(12)7-10-6-14-3-4-15-10/h1-6,8H,7,13H2.
What are the key properties of 1-(pyrazin-2-ylmethyl)benzimidazol-5-amine?
1-(pyrazin-2-ylmethyl)benzimidazol-5-amine has a molecular weight of 225.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazin-2-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 171785134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).