2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole

C31H20N6 — CID 135430779

IUPAC2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESc1ccc2cc(-c3ccc4[nH]c(-c5ccc6[nH]c(-c7ccc8[nH]cnc8c7)nc6c5)nc4c3)ccc2c1
InChIInChI=1S/C31H20N6/c1-2-4-19-13-20(6-5-18(19)3-1)21-7-11-25-28(14-21)36-31(34-25)23-9-12-26-29(16-23)37-30(35-26)22-8-10-24-27(15-22)33-17-32-24/h1-17H,(H,32,33)(H,34,36)(H,35,37)
InChIKeyMMYXMQFOAROZIY-UHFFFAOYSA-N
MW476.54 g/mol
LogP7.47
Rot. Bonds3

About 2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole

2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole (PubChem CID 135430779) has the molecular formula C31H20N6 and a molecular weight of 476.54 g/mol. Its IUPAC name is 2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
PubChem CID135430779
Molecular FormulaC31H20N6
Molecular Weight476.54 g/mol
Exact Mass476.17
IUPAC Name2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole
SMILESc1ccc2cc(-c3ccc4[nH]c(-c5ccc6[nH]c(-c7ccc8[nH]cnc8c7)nc6c5)nc4c3)ccc2c1
InChIInChI=1S/C31H20N6/c1-2-4-19-13-20(6-5-18(19)3-1)21-7-11-25-28(14-21)36-31(34-25)23-9-12-26-29(16-23)37-30(35-26)22-8-10-24-27(15-22)33-17-32-24/h1-17H,(H,32,33)(H,34,36)(H,35,37)
InChIKeyMMYXMQFOAROZIY-UHFFFAOYSA-N
XLogP7.47
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 57.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole (CID 135430779) is 2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole is c1ccc2cc(-c3ccc4[nH]c(-c5ccc6[nH]c(-c7ccc8[nH]cnc8c7)nc6c5)nc4c3)ccc2c1.
What is the InChIKey of 2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
The InChIKey is MMYXMQFOAROZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N6/c1-2-4-19-13-20(6-5-18(19)3-1)21-7-11-25-28(14-21)36-31(34-25)23-9-12-26-29(16-23)37-30(35-26)22-8-10-24-27(15-22)33-17-32-24/h1-17H,(H,32,33)(H,34,36)(H,35,37).
What are the key properties of 2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole?
2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole has a molecular weight of 476.54 g/mol, XLogP of 7.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-5-yl)-5-(5-naphthalen-2-yl-1H-benzimidazol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 135430779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).