2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole

C13H7BrF2N2 — CID 114020270

IUPAC2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(-c3cccc(Br)c3F)[nH]c2c1
InChIInChI=1S/C13H7BrF2N2/c14-9-3-1-2-8(12(9)16)13-17-10-5-4-7(15)6-11(10)18-13/h1-6H,(H,17,18)
InChIKeyPJGVMZUNFCYYDU-UHFFFAOYSA-N
MW309.11 g/mol
LogP4.27
Rot. Bonds1

About 2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole

2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole (PubChem CID 114020270) has the molecular formula C13H7BrF2N2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
PubChem CID114020270
Molecular FormulaC13H7BrF2N2
Molecular Weight309.11 g/mol
Exact Mass307.98
IUPAC Name2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(-c3cccc(Br)c3F)[nH]c2c1
InChIInChI=1S/C13H7BrF2N2/c14-9-3-1-2-8(12(9)16)13-17-10-5-4-7(15)6-11(10)18-13/h1-6H,(H,17,18)
InChIKeyPJGVMZUNFCYYDU-UHFFFAOYSA-N
XLogP4.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole 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

2-amino-6-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136980082
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one
CID 59208169
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole
CID 60981364
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine
CID 55100100
2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455930
2-(2-bromo-4-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62069158
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole
CID 91673788
2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136837301

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole (CID 114020270) is 2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole is Fc1ccc2nc(-c3cccc(Br)c3F)[nH]c2c1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is PJGVMZUNFCYYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2/c14-9-3-1-2-8(12(9)16)13-17-10-5-4-7(15)6-11(10)18-13/h1-6H,(H,17,18).
What are the key properties of 2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole?
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 309.11 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 114020270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).