6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole

C14H7BrF4N2 — CID 64723741

IUPAC6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1C(F)(F)F
InChIInChI=1S/C14H7BrF4N2/c15-8-2-4-11-12(6-8)21-13(20-11)7-1-3-10(16)9(5-7)14(17,18)19/h1-6H,(H,20,21)
InChIKeyGLQUTYWTDLPVKV-UHFFFAOYSA-N
MW359.12 g/mol
LogP5.15
Rot. Bonds1

About 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole

6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole (PubChem CID 64723741) has the molecular formula C14H7BrF4N2 and a molecular weight of 359.12 g/mol. Its IUPAC name is 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole
PubChem CID64723741
Molecular FormulaC14H7BrF4N2
Molecular Weight359.12 g/mol
Exact Mass357.97
IUPAC Name6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1C(F)(F)F
InChIInChI=1S/C14H7BrF4N2/c15-8-2-4-11-12(6-8)21-13(20-11)7-1-3-10(16)9(5-7)14(17,18)19/h1-6H,(H,20,21)
InChIKeyGLQUTYWTDLPVKV-UHFFFAOYSA-N
XLogP5.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.12
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
CID 142742969
4-(3,4-diaminophenyl)benzene-1,2-diamine;4-fluoro-3-(trifluoromethyl)benzoic acid;2-[4-fluoro-3-(trifluoromethyl)phenyl]-6-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 158302300
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873230
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
3-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 118624443
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 64722297
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole (CID 64723741) is 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole is Fc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1C(F)(F)F.
What is the InChIKey of 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The InChIKey is GLQUTYWTDLPVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4N2/c15-8-2-4-11-12(6-8)21-13(20-11)7-1-3-10(16)9(5-7)14(17,18)19/h1-6H,(H,20,21).
What are the key properties of 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole?
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole has a molecular weight of 359.12 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 64723741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).