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

C14H7BrF2N4 — CID 107799605

IUPAC2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1-n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C14H7BrF2N4/c15-8-2-1-7(6-18)11(3-8)21-12-5-9(16)4-10(17)13(12)20-14(21)19/h1-5H,(H2,19,20)
InChIKeyXOWKUEZLSNCDQN-UHFFFAOYSA-N
MW349.14 g/mol
LogP3.52
Rot. Bonds1

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

2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile (PubChem CID 107799605) has the molecular formula C14H7BrF2N4 and a molecular weight of 349.14 g/mol. Its IUPAC name is 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile.

Molecular Properties

Compound Name2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile
PubChem CID107799605
Molecular FormulaC14H7BrF2N4
Molecular Weight349.14 g/mol
Exact Mass347.98
IUPAC Name2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1-n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C14H7BrF2N4/c15-8-2-1-7(6-18)11(3-8)21-12-5-9(16)4-10(17)13(12)20-14(21)19/h1-5H,(H2,19,20)
InChIKeyXOWKUEZLSNCDQN-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

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-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791691
1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107613935
2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile
CID 65345207
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508622
2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile
CID 82016149
1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508632
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
CID 104714844
2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 107593043

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile?
The IUPAC name of 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile (CID 107799605) is 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile.
What is the SMILES notation for 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile?
The canonical SMILES for 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile is N#Cc1ccc(Br)cc1-n1c(N)nc2c(F)cc(F)cc21.
What is the InChIKey of 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile?
The InChIKey is XOWKUEZLSNCDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF2N4/c15-8-2-1-7(6-18)11(3-8)21-12-5-9(16)4-10(17)13(12)20-14(21)19/h1-5H,(H2,19,20).
What are the key properties of 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile?
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-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 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile is sourced from PubChem (CID 107799605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).