6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine

C19H15N7 — CID 68921119

IUPAC6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine
SMILESc1ccc(CNc2nc(-n3cnc4ccccc43)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H15N7/c1-2-6-13(7-3-1)10-20-19-24-17-16(21-11-22-17)18(25-19)26-12-23-14-8-4-5-9-15(14)26/h1-9,11-12H,10H2,(H2,20,21,22,24,25)
InChIKeyAYDXHSBWBLKPOA-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.30
Rot. Bonds4

About 6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine

6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine (PubChem CID 68921119) has the molecular formula C19H15N7 and a molecular weight of 341.38 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine
PubChem CID68921119
Molecular FormulaC19H15N7
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine
SMILESc1ccc(CNc2nc(-n3cnc4ccccc43)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H15N7/c1-2-6-13(7-3-1)10-20-19-24-17-16(21-11-22-17)18(25-19)26-12-23-14-8-4-5-9-15(14)26/h1-9,11-12H,10H2,(H2,20,21,22,24,25)
InChIKeyAYDXHSBWBLKPOA-UHFFFAOYSA-N
XLogP3.30
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine (CID 68921119) is 6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine is c1ccc(CNc2nc(-n3cnc4ccccc43)c3[nH]cnc3n2)cc1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine?
The InChIKey is AYDXHSBWBLKPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7/c1-2-6-13(7-3-1)10-20-19-24-17-16(21-11-22-17)18(25-19)26-12-23-14-8-4-5-9-15(14)26/h1-9,11-12H,10H2,(H2,20,21,22,24,25).
What are the key properties of 6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine?
6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine has a molecular weight of 341.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine is sourced from PubChem (CID 68921119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).