4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile

C14H7BrF2N4 — CID 107791691

IUPAC4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
SMILESN#Cc1ccc(-n2c(N)nc3c(F)cc(F)cc32)c(Br)c1
InChIInChI=1S/C14H7BrF2N4/c15-9-3-7(6-18)1-2-11(9)21-12-5-8(16)4-10(17)13(12)20-14(21)19/h1-5H,(H2,19,20)
InChIKeyAVKPZYOASBJUJQ-UHFFFAOYSA-N
MW349.14 g/mol
LogP3.52
Rot. Bonds1

About 4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile

4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile (PubChem CID 107791691) has the molecular formula C14H7BrF2N4 and a molecular weight of 349.14 g/mol. Its IUPAC name is 4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile.

Molecular Properties

Compound Name4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
PubChem CID107791691
Molecular FormulaC14H7BrF2N4
Molecular Weight349.14 g/mol
Exact Mass347.98
IUPAC Name4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
SMILESN#Cc1ccc(-n2c(N)nc3c(F)cc(F)cc32)c(Br)c1
InChIInChI=1S/C14H7BrF2N4/c15-9-3-7(6-18)1-2-11(9)21-12-5-8(16)4-10(17)13(12)20-14(21)19/h1-5H,(H2,19,20)
InChIKeyAVKPZYOASBJUJQ-UHFFFAOYSA-N
XLogP3.52
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile
CID 107799605
2-amino-1-(2-bromo-4-cyanophenyl)benzimidazole-4-carbonitrile
CID 107791660
1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107613935
4-(2-amino-4-chlorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791668
1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508680
1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508690
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508622
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 104715108
5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086880
4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile
CID 107791678

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile?
The IUPAC name of 4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile (CID 107791691) is 4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile.
What is the SMILES notation for 4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile?
The canonical SMILES for 4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile is N#Cc1ccc(-n2c(N)nc3c(F)cc(F)cc32)c(Br)c1.
What is the InChIKey of 4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile?
The InChIKey is AVKPZYOASBJUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N4/c15-9-3-7(6-18)1-2-11(9)21-12-5-8(16)4-10(17)13(12)20-14(21)19/h1-5H,(H2,19,20).
What are the key properties of 4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile?
4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile has a molecular weight of 349.14 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile is sourced from PubChem (CID 107791691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).