6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole

C19H12BrFN2 — CID 66841439

IUPAC6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
SMILESFc1ccccc1-c1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C19H12BrFN2/c20-14-9-10-17-18(11-14)23-19(22-17)13-7-5-12(6-8-13)15-3-1-2-4-16(15)21/h1-11H,(H,22,23)
InChIKeyVKLJKMVHBDSUON-UHFFFAOYSA-N
MW367.22 g/mol
LogP5.80
Rot. Bonds2

About 6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole

6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole (PubChem CID 66841439) has the molecular formula C19H12BrFN2 and a molecular weight of 367.22 g/mol. Its IUPAC name is 6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
PubChem CID66841439
Molecular FormulaC19H12BrFN2
Molecular Weight367.22 g/mol
Exact Mass366.02
IUPAC Name6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
SMILESFc1ccccc1-c1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C19H12BrFN2/c20-14-9-10-17-18(11-14)23-19(22-17)13-7-5-12(6-8-13)15-3-1-2-4-16(15)21/h1-11H,(H,22,23)
InChIKeyVKLJKMVHBDSUON-UHFFFAOYSA-N
XLogP5.80
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.22
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2-fluorophenyl)phenyl]-6-iodo-1H-benzimidazole
CID 66841194
6-tert-butyl-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 52940686
2-[4-(2-fluorophenyl)phenyl]-3H-benzimidazole-5-sulfonamide
CID 52941877
6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 81454880
6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
6-bromo-2-(2-bromo-6-fluorophenyl)-1H-benzimidazole
CID 114560115
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 64723741
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-1H-benzimidazole-5-carboxamide
CID 122690335
2-[3-(6-bromo-1H-benzimidazol-2-yl)phenyl]isoindole-1,3-dione
CID 168518731

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole (CID 66841439) is 6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole is Fc1ccccc1-c1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole?
The InChIKey is VKLJKMVHBDSUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrFN2/c20-14-9-10-17-18(11-14)23-19(22-17)13-7-5-12(6-8-13)15-3-1-2-4-16(15)21/h1-11H,(H,22,23).
What are the key properties of 6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole?
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole has a molecular weight of 367.22 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 66841439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).