6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine

C12H11N5 — CID 96604108

IUPAC6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine
SMILESNc1cncc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H11N5/c13-11-7-14-6-8(15-11)5-12-16-9-3-1-2-4-10(9)17-12/h1-4,6-7H,5H2,(H2,13,15)(H,16,17)
InChIKeyYHBGWGAZAKKNIV-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.53
Rot. Bonds2

About 6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine

6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine (PubChem CID 96604108) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine
PubChem CID96604108
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine
SMILESNc1cncc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C12H11N5/c13-11-7-14-6-8(15-11)5-12-16-9-3-1-2-4-10(9)17-12/h1-4,6-7H,5H2,(H2,13,15)(H,16,17)
InChIKeyYHBGWGAZAKKNIV-UHFFFAOYSA-N
XLogP1.53
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
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Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine (CID 96604108) is 6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine is Nc1cncc(Cc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine?
The InChIKey is YHBGWGAZAKKNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-11-7-14-6-8(15-11)5-12-16-9-3-1-2-4-10(9)17-12/h1-4,6-7H,5H2,(H2,13,15)(H,16,17).
What are the key properties of 6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine?
6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine has a molecular weight of 225.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 96604108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).