2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile

C14H8F2N4 — CID 82016569

IUPAC2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-n1c(N)nc2ccc(F)cc21
InChIInChI=1S/C14H8F2N4/c15-9-2-4-12(8(5-9)7-17)20-13-6-10(16)1-3-11(13)19-14(20)18/h1-6H,(H2,18,19)
InChIKeyVRLQFVKBTYNUPS-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.76
Rot. Bonds1

About 2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile

2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile (PubChem CID 82016569) has the molecular formula C14H8F2N4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile
PubChem CID82016569
Molecular FormulaC14H8F2N4
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Name2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-n1c(N)nc2ccc(F)cc21
InChIInChI=1S/C14H8F2N4/c15-9-2-4-12(8(5-9)7-17)20-13-6-10(16)1-3-11(13)19-14(20)18/h1-6H,(H2,18,19)
InChIKeyVRLQFVKBTYNUPS-UHFFFAOYSA-N
XLogP2.76
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile?
The IUPAC name of 2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile (CID 82016569) is 2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1-n1c(N)nc2ccc(F)cc21.
What is the InChIKey of 2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile?
The InChIKey is VRLQFVKBTYNUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4/c15-9-2-4-12(8(5-9)7-17)20-13-6-10(16)1-3-11(13)19-14(20)18/h1-6H,(H2,18,19).
What are the key properties of 2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile?
2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile has a molecular weight of 270.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 82016569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).