4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile

C14H7BrFN3 — CID 79631613

IUPAC4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1
InChIInChI=1S/C14H7BrFN3/c15-10-5-12-13(6-11(10)16)19-14(18-12)9-3-1-8(7-17)2-4-9/h1-6H,(H,18,19)
InChIKeyFDXWBQPOIYJAKO-UHFFFAOYSA-N
MW316.13 g/mol
LogP4.00
Rot. Bonds1

About 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile

4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile (PubChem CID 79631613) has the molecular formula C14H7BrFN3 and a molecular weight of 316.13 g/mol. Its IUPAC name is 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile
PubChem CID79631613
Molecular FormulaC14H7BrFN3
Molecular Weight316.13 g/mol
Exact Mass314.98
IUPAC Name4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1
InChIInChI=1S/C14H7BrFN3/c15-10-5-12-13(6-11(10)16)19-14(18-12)9-3-1-8(7-17)2-4-9/h1-6H,(H,18,19)
InChIKeyFDXWBQPOIYJAKO-UHFFFAOYSA-N
XLogP4.00
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 79631765
5-bromo-6-fluoro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 79631520
5-bromo-6-fluoro-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 79599219
4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile
CID 81463475
5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole
CID 79630480
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004638
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile?
The IUPAC name of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile (CID 79631613) is 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile.
What is the SMILES notation for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile?
The canonical SMILES for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile is N#Cc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1.
What is the InChIKey of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile?
The InChIKey is FDXWBQPOIYJAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFN3/c15-10-5-12-13(6-11(10)16)19-14(18-12)9-3-1-8(7-17)2-4-9/h1-6H,(H,18,19).
What are the key properties of 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile?
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile has a molecular weight of 316.13 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)benzonitrile is sourced from PubChem (CID 79631613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).