6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole

C27H24N8 — CID 69026689

IUPAC6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole
SMILESCCCCC(c1nc2ccc(-c3ncccn3)cc2[nH]1)c1nc2ccc(-c3ncccn3)cc2[nH]1
InChIInChI=1S/C27H24N8/c1-2-3-6-19(26-32-20-9-7-17(15-22(20)34-26)24-28-11-4-12-29-24)27-33-21-10-8-18(16-23(21)35-27)25-30-13-5-14-31-25/h4-5,7-16,19H,2-3,6H2,1H3,(H,32,34)(H,33,35)
InChIKeyVRNYLJZYONNGOS-UHFFFAOYSA-N
MW460.55 g/mol
LogP5.68
Rot. Bonds7

About 6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole

6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole (PubChem CID 69026689) has the molecular formula C27H24N8 and a molecular weight of 460.55 g/mol. Its IUPAC name is 6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole
PubChem CID69026689
Molecular FormulaC27H24N8
Molecular Weight460.55 g/mol
Exact Mass460.21
IUPAC Name6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole
SMILESCCCCC(c1nc2ccc(-c3ncccn3)cc2[nH]1)c1nc2ccc(-c3ncccn3)cc2[nH]1
InChIInChI=1S/C27H24N8/c1-2-3-6-19(26-32-20-9-7-17(15-22(20)34-26)24-28-11-4-12-29-24)27-33-21-10-8-18(16-23(21)35-27)25-30-13-5-14-31-25/h4-5,7-16,19H,2-3,6H2,1H3,(H,32,34)(H,33,35)
InChIKeyVRNYLJZYONNGOS-UHFFFAOYSA-N
XLogP5.68
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole?
The IUPAC name of 6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole (CID 69026689) is 6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole.
What is the SMILES notation for 6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole?
The canonical SMILES for 6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole is CCCCC(c1nc2ccc(-c3ncccn3)cc2[nH]1)c1nc2ccc(-c3ncccn3)cc2[nH]1.
What is the InChIKey of 6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole?
The InChIKey is VRNYLJZYONNGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8/c1-2-3-6-19(26-32-20-9-7-17(15-22(20)34-26)24-28-11-4-12-29-24)27-33-21-10-8-18(16-23(21)35-27)25-30-13-5-14-31-25/h4-5,7-16,19H,2-3,6H2,1H3,(H,32,34)(H,33,35).
What are the key properties of 6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole?
6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole has a molecular weight of 460.55 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrimidin-2-yl-2-[1-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)pentyl]-1H-benzimidazole is sourced from PubChem (CID 69026689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).