2-(benzimidazol-1-yl)-7H-purine

C12H8N6 — CID 57430843

IUPAC2-(benzimidazol-1-yl)-7H-purine
SMILESc1ccc2c(c1)ncn2-c1ncc2[nH]cnc2n1
InChIInChI=1S/C12H8N6/c1-2-4-10-8(3-1)16-7-18(10)12-13-5-9-11(17-12)15-6-14-9/h1-7H,(H,13,14,15,17)
InChIKeyZIVZOKRBWWLFIJ-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.69
Rot. Bonds1

About 2-(benzimidazol-1-yl)-7H-purine

2-(benzimidazol-1-yl)-7H-purine (PubChem CID 57430843) has the molecular formula C12H8N6 and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-7H-purine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-7H-purine
PubChem CID57430843
Molecular FormulaC12H8N6
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name2-(benzimidazol-1-yl)-7H-purine
SMILESc1ccc2c(c1)ncn2-c1ncc2[nH]cnc2n1
InChIInChI=1S/C12H8N6/c1-2-4-10-8(3-1)16-7-18(10)12-13-5-9-11(17-12)15-6-14-9/h1-7H,(H,13,14,15,17)
InChIKeyZIVZOKRBWWLFIJ-UHFFFAOYSA-N
XLogP1.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-7H-purine?
The IUPAC name of 2-(benzimidazol-1-yl)-7H-purine (CID 57430843) is 2-(benzimidazol-1-yl)-7H-purine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-7H-purine?
The canonical SMILES for 2-(benzimidazol-1-yl)-7H-purine is c1ccc2c(c1)ncn2-c1ncc2[nH]cnc2n1.
What is the InChIKey of 2-(benzimidazol-1-yl)-7H-purine?
The InChIKey is ZIVZOKRBWWLFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6/c1-2-4-10-8(3-1)16-7-18(10)12-13-5-9-11(17-12)15-6-14-9/h1-7H,(H,13,14,15,17).
What are the key properties of 2-(benzimidazol-1-yl)-7H-purine?
2-(benzimidazol-1-yl)-7H-purine has a molecular weight of 236.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-7H-purine is sourced from PubChem (CID 57430843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).