4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole

C18H12N4O — CID 175461908

IUPAC4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole
SMILESc1cc(-c2ccc(-c3cccc4[nH]cnc34)o2)c2nc[nH]c2c1
InChIInChI=1S/C18H12N4O/c1-3-11(17-13(5-1)19-9-21-17)15-7-8-16(23-15)12-4-2-6-14-18(12)22-10-20-14/h1-10H,(H,19,21)(H,20,22)
InChIKeyDFNLASPMGMIPJL-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.37
Rot. Bonds2

About 4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole

4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole (PubChem CID 175461908) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole
PubChem CID175461908
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole
SMILESc1cc(-c2ccc(-c3cccc4[nH]cnc34)o2)c2nc[nH]c2c1
InChIInChI=1S/C18H12N4O/c1-3-11(17-13(5-1)19-9-21-17)15-7-8-16(23-15)12-4-2-6-14-18(12)22-10-20-14/h1-10H,(H,19,21)(H,20,22)
InChIKeyDFNLASPMGMIPJL-UHFFFAOYSA-N
XLogP4.37
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole?
The IUPAC name of 4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole (CID 175461908) is 4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole?
The canonical SMILES for 4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole is c1cc(-c2ccc(-c3cccc4[nH]cnc34)o2)c2nc[nH]c2c1.
What is the InChIKey of 4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole?
The InChIKey is DFNLASPMGMIPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O/c1-3-11(17-13(5-1)19-9-21-17)15-7-8-16(23-15)12-4-2-6-14-18(12)22-10-20-14/h1-10H,(H,19,21)(H,20,22).
What are the key properties of 4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole?
4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole has a molecular weight of 300.32 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-benzimidazol-4-yl)furan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 175461908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).