5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole

C13H6BrClF2N2 — CID 79631329

IUPAC5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3cc(Cl)ccc3F)nc2cc1Br
InChIInChI=1S/C13H6BrClF2N2/c14-8-4-11-12(5-10(8)17)19-13(18-11)7-3-6(15)1-2-9(7)16/h1-5H,(H,18,19)
InChIKeyDUOJAHZRHWYHSN-UHFFFAOYSA-N
MW343.56 g/mol
LogP4.92
Rot. Bonds1

About 5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole

5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole (PubChem CID 79631329) has the molecular formula C13H6BrClF2N2 and a molecular weight of 343.56 g/mol. Its IUPAC name is 5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
PubChem CID79631329
Molecular FormulaC13H6BrClF2N2
Molecular Weight343.56 g/mol
Exact Mass341.94
IUPAC Name5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3cc(Cl)ccc3F)nc2cc1Br
InChIInChI=1S/C13H6BrClF2N2/c14-8-4-11-12(5-10(8)17)19-13(18-11)7-3-6(15)1-2-9(7)16/h1-5H,(H,18,19)
InChIKeyDUOJAHZRHWYHSN-UHFFFAOYSA-N
XLogP4.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 79631691
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
5-bromo-2-(3-bromo-5-chlorophenyl)-6-fluoro-1H-benzimidazole
CID 107939500
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 107983011
4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine
CID 79630920
5-bromo-2-(3-chloro-4-methylphenyl)-6-fluoro-1H-benzimidazole
CID 79631508
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
[2-(5-chloro-2-fluorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004467
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 79630922
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole (CID 79631329) is 5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole is Fc1cc2[nH]c(-c3cc(Cl)ccc3F)nc2cc1Br.
What is the InChIKey of 5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is DUOJAHZRHWYHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2N2/c14-8-4-11-12(5-10(8)17)19-13(18-11)7-3-6(15)1-2-9(7)16/h1-5H,(H,18,19).
What are the key properties of 5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 343.56 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 79631329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).