2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile

C17H8N4O2 — CID 70852236

IUPAC2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc(-c4ccc(C#N)o4)o3)[nH]c2c1
InChIInChI=1S/C17H8N4O2/c18-8-10-1-3-12-13(7-10)21-17(20-12)16-6-5-15(23-16)14-4-2-11(9-19)22-14/h1-7H,(H,20,21)
InChIKeyDDWCPNOSCDMRBB-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.83
Rot. Bonds2

About 2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile

2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile (PubChem CID 70852236) has the molecular formula C17H8N4O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile
PubChem CID70852236
Molecular FormulaC17H8N4O2
Molecular Weight300.28 g/mol
Exact Mass300.06
IUPAC Name2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3ccc(-c4ccc(C#N)o4)o3)[nH]c2c1
InChIInChI=1S/C17H8N4O2/c18-8-10-1-3-12-13(7-10)21-17(20-12)16-6-5-15(23-16)14-4-2-11(9-19)22-14/h1-7H,(H,20,21)
InChIKeyDDWCPNOSCDMRBB-UHFFFAOYSA-N
XLogP3.83
TPSA102.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile (CID 70852236) is 2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3ccc(-c4ccc(C#N)o4)o3)[nH]c2c1.
What is the InChIKey of 2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile?
The InChIKey is DDWCPNOSCDMRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8N4O2/c18-8-10-1-3-12-13(7-10)21-17(20-12)16-6-5-15(23-16)14-4-2-11(9-19)22-14/h1-7H,(H,20,21).
What are the key properties of 2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile?
2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 300.28 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-cyanofuran-2-yl)furan-2-yl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 70852236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).