5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole

C16H14BrFN2 — CID 79631618

IUPAC5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole
SMILESCc1ccccc1CCc1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C16H14BrFN2/c1-10-4-2-3-5-11(10)6-7-16-19-14-8-12(17)13(18)9-15(14)20-16/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyNGDAWKQFUXFSMV-UHFFFAOYSA-N
MW333.20 g/mol
LogP4.56
Rot. Bonds3

About 5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole

5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole (PubChem CID 79631618) has the molecular formula C16H14BrFN2 and a molecular weight of 333.20 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole
PubChem CID79631618
Molecular FormulaC16H14BrFN2
Molecular Weight333.20 g/mol
Exact Mass332.03
IUPAC Name5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole
SMILESCc1ccccc1CCc1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C16H14BrFN2/c1-10-4-2-3-5-11(10)6-7-16-19-14-8-12(17)13(18)9-15(14)20-16/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyNGDAWKQFUXFSMV-UHFFFAOYSA-N
XLogP4.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-[(2,5-dimethylphenyl)methyl]-6-fluoro-1H-benzimidazole
CID 79631232
5-bromo-6-fluoro-2-octyl-1H-benzimidazole
CID 79631418
5-bromo-6-fluoro-2-(2-pyridin-3-ylethyl)-1H-benzimidazole
CID 114289884
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine
CID 79630736
5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
CID 79631505
5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
CID 79631603
5,6-difluoro-2-(2-phenylethyl)-1H-benzimidazole
CID 60978368
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 107983011
5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole
CID 114458309
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-3-methylaniline
CID 79631596
5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
CID 103208877

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole (CID 79631618) is 5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole is Cc1ccccc1CCc1nc2cc(Br)c(F)cc2[nH]1.
What is the InChIKey of 5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole?
The InChIKey is NGDAWKQFUXFSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2/c1-10-4-2-3-5-11(10)6-7-16-19-14-8-12(17)13(18)9-15(14)20-16/h2-5,8-9H,6-7H2,1H3,(H,19,20).
What are the key properties of 5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole?
5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole has a molecular weight of 333.20 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 79631618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).