2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile

C25H15N5 — CID 10715112

IUPAC2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc4nc(-c5cccc6ccccc56)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C25H15N5/c26-14-15-8-10-20-22(12-15)29-24(27-20)17-9-11-21-23(13-17)30-25(28-21)19-7-3-5-16-4-1-2-6-18(16)19/h1-13H,(H,27,29)(H,28,30)
InChIKeyXSEINBNNPFKLJV-UHFFFAOYSA-N
MW385.43 g/mol
LogP5.80
Rot. Bonds2

About 2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile

2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile (PubChem CID 10715112) has the molecular formula C25H15N5 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile
PubChem CID10715112
Molecular FormulaC25H15N5
Molecular Weight385.43 g/mol
Exact Mass385.13
IUPAC Name2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc4nc(-c5cccc6ccccc56)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C25H15N5/c26-14-15-8-10-20-22(12-15)29-24(27-20)17-9-11-21-23(13-17)30-25(28-21)19-7-3-5-16-4-1-2-6-18(16)19/h1-13H,(H,27,29)(H,28,30)
InChIKeyXSEINBNNPFKLJV-UHFFFAOYSA-N
XLogP5.80
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile (CID 10715112) is 2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3ccc4nc(-c5cccc6ccccc56)[nH]c4c3)[nH]c2c1.
What is the InChIKey of 2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is XSEINBNNPFKLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N5/c26-14-15-8-10-20-22(12-15)29-24(27-20)17-9-11-21-23(13-17)30-25(28-21)19-7-3-5-16-4-1-2-6-18(16)19/h1-13H,(H,27,29)(H,28,30).
What are the key properties of 2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile?
2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 385.43 g/mol, XLogP of 5.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 10715112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).