4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile

C14H8F2N4 — CID 62531364

IUPAC4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2c(N)nc3ccc(F)c(F)c32)cc1
InChIInChI=1S/C14H8F2N4/c15-10-5-6-11-13(12(10)16)20(14(18)19-11)9-3-1-8(7-17)2-4-9/h1-6H,(H2,18,19)
InChIKeyJQRMUEWASNQDMS-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.76
Rot. Bonds1

About 4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile

4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile (PubChem CID 62531364) has the molecular formula C14H8F2N4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile
PubChem CID62531364
Molecular FormulaC14H8F2N4
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Name4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2c(N)nc3ccc(F)c(F)c32)cc1
InChIInChI=1S/C14H8F2N4/c15-10-5-6-11-13(12(10)16)20(14(18)19-11)9-3-1-8(7-17)2-4-9/h1-6H,(H2,18,19)
InChIKeyJQRMUEWASNQDMS-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 4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile?
The IUPAC name of 4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile (CID 62531364) is 4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile?
The canonical SMILES for 4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile is N#Cc1ccc(-n2c(N)nc3ccc(F)c(F)c32)cc1.
What is the InChIKey of 4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile?
The InChIKey is JQRMUEWASNQDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4/c15-10-5-6-11-13(12(10)16)20(14(18)19-11)9-3-1-8(7-17)2-4-9/h1-6H,(H2,18,19).
What are the key properties of 4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile?
4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile 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 4-(2-amino-6,7-difluorobenzimidazol-1-yl)benzonitrile is sourced from PubChem (CID 62531364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).