2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline

C13H8BrF2N3 — CID 62866966

IUPAC2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
SMILESNc1cc(F)c(F)cc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H8BrF2N3/c14-6-1-2-11-12(3-6)19-13(18-11)7-4-8(15)9(16)5-10(7)17/h1-5H,17H2,(H,18,19)
InChIKeyQMZOOZOVFGQPAS-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.85
Rot. Bonds1

About 2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline

2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline (PubChem CID 62866966) has the molecular formula C13H8BrF2N3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline.

Molecular Properties

Compound Name2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
PubChem CID62866966
Molecular FormulaC13H8BrF2N3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline
SMILESNc1cc(F)c(F)cc1-c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C13H8BrF2N3/c14-6-1-2-11-12(3-6)19-13(18-11)7-4-8(15)9(16)5-10(7)17/h1-5H,17H2,(H,18,19)
InChIKeyQMZOOZOVFGQPAS-UHFFFAOYSA-N
XLogP3.85
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
6-bromo-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 102883699
6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 81454880
2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline
CID 54919605
2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole
CID 114373862
2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-amine
CID 43629943
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
4-(6-bromo-1H-benzimidazol-2-yl)-3-methoxyaniline
CID 107209077
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439
5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556505
6-bromo-2-(2-bromo-6-fluorophenyl)-1H-benzimidazole
CID 114560115

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline?
The IUPAC name of 2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline (CID 62866966) is 2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline.
What is the SMILES notation for 2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline?
The canonical SMILES for 2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline is Nc1cc(F)c(F)cc1-c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of 2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline?
The InChIKey is QMZOOZOVFGQPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3/c14-6-1-2-11-12(3-6)19-13(18-11)7-4-8(15)9(16)5-10(7)17/h1-5H,17H2,(H,18,19).
What are the key properties of 2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline?
2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline has a molecular weight of 324.13 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-benzimidazol-2-yl)-4,5-difluoroaniline is sourced from PubChem (CID 62866966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).