2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile

C14H8F2N4O — CID 11737731

IUPAC2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc(O)c2nc(Nc3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/C14H8F2N4O/c15-8-2-1-3-9(12(8)16)18-14-19-10-4-7(6-17)5-11(21)13(10)20-14/h1-5,21H,(H2,18,19,20)
InChIKeyWDZYKFGSWZWOQH-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.16
Rot. Bonds2

About 2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile

2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile (PubChem CID 11737731) has the molecular formula C14H8F2N4O and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile
PubChem CID11737731
Molecular FormulaC14H8F2N4O
Molecular Weight286.24 g/mol
Exact Mass286.07
IUPAC Name2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc(O)c2nc(Nc3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/C14H8F2N4O/c15-8-2-1-3-9(12(8)16)18-14-19-10-4-7(6-17)5-11(21)13(10)20-14/h1-5,21H,(H2,18,19,20)
InChIKeyWDZYKFGSWZWOQH-UHFFFAOYSA-N
XLogP3.16
TPSA84.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile (CID 11737731) is 2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile is N#Cc1cc(O)c2nc(Nc3cccc(F)c3F)[nH]c2c1.
What is the InChIKey of 2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile?
The InChIKey is WDZYKFGSWZWOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4O/c15-8-2-1-3-9(12(8)16)18-14-19-10-4-7(6-17)5-11(21)13(10)20-14/h1-5,21H,(H2,18,19,20).
What are the key properties of 2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile?
2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile has a molecular weight of 286.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoroanilino)-7-hydroxy-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 11737731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).