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

C14H11BrFN3 — CID 79630922

IUPAC2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
SMILESCc1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1N
InChIInChI=1S/C14H11BrFN3/c1-7-3-2-4-8(13(7)17)14-18-11-5-9(15)10(16)6-12(11)19-14/h2-6H,17H2,1H3,(H,18,19)
InChIKeySFEHLVVKSZGXAN-UHFFFAOYSA-N
MW320.17 g/mol
LogP4.02
Rot. Bonds1

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

2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline (PubChem CID 79630922) has the molecular formula C14H11BrFN3 and a molecular weight of 320.17 g/mol. Its IUPAC name is 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline.

Molecular Properties

Compound Name2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
PubChem CID79630922
Molecular FormulaC14H11BrFN3
Molecular Weight320.17 g/mol
Exact Mass319.01
IUPAC Name2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
SMILESCc1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1N
InChIInChI=1S/C14H11BrFN3/c1-7-3-2-4-8(13(7)17)14-18-11-5-9(15)10(16)6-12(11)19-14/h2-6H,17H2,1H3,(H,18,19)
InChIKeySFEHLVVKSZGXAN-UHFFFAOYSA-N
XLogP4.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline 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-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 107983011
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-3-methylaniline
CID 79631596
2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107049774
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 63112795
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine
CID 79630920
5-bromo-6-fluoro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 79631520
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
5-bromo-6-fluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 79631045
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline?
The IUPAC name of 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline (CID 79630922) is 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline.
What is the SMILES notation for 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline?
The canonical SMILES for 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline is Cc1cccc(-c2nc3cc(Br)c(F)cc3[nH]2)c1N.
What is the InChIKey of 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline?
The InChIKey is SFEHLVVKSZGXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3/c1-7-3-2-4-8(13(7)17)14-18-11-5-9(15)10(16)6-12(11)19-14/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline?
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline has a molecular weight of 320.17 g/mol, XLogP of 4.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline is sourced from PubChem (CID 79630922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).