2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile

C14H8BrFN4 — CID 82016149

IUPAC2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C14H8BrFN4/c15-9-1-3-13-11(6-9)19-14(18)20(13)12-4-2-10(16)5-8(12)7-17/h1-6H,(H2,18,19)
InChIKeyPZHRCFREMJWYLI-UHFFFAOYSA-N
MW331.15 g/mol
LogP3.38
Rot. Bonds1

About 2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile

2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile (PubChem CID 82016149) has the molecular formula C14H8BrFN4 and a molecular weight of 331.15 g/mol. Its IUPAC name is 2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile
PubChem CID82016149
Molecular FormulaC14H8BrFN4
Molecular Weight331.15 g/mol
Exact Mass329.99
IUPAC Name2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C14H8BrFN4/c15-9-1-3-13-11(6-9)19-14(18)20(13)12-4-2-10(16)5-8(12)7-17/h1-6H,(H2,18,19)
InChIKeyPZHRCFREMJWYLI-UHFFFAOYSA-N
XLogP3.38
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile
CID 82016569
5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
CID 63546046
2-amino-1-(2-cyano-4-fluorophenyl)benzimidazole-4-carbonitrile
CID 104719103
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile
CID 107799605
5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine
CID 82766861
2-(2-amino-6-bromobenzimidazol-1-yl)-4-chlorobenzonitrile
CID 65345207
2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
CID 104714844

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile?
The IUPAC name of 2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile (CID 82016149) is 2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1-n1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile?
The InChIKey is PZHRCFREMJWYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN4/c15-9-1-3-13-11(6-9)19-14(18)20(13)12-4-2-10(16)5-8(12)7-17/h1-6H,(H2,18,19).
What are the key properties of 2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile?
2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile has a molecular weight of 331.15 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromobenzimidazol-1-yl)-5-fluorobenzonitrile is sourced from PubChem (CID 82016149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).