6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole

C15H12BrFN2 — CID 104574451

IUPAC6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(Cc3cccc(F)c3)nc12
InChIInChI=1S/C15H12BrFN2/c1-9-5-11(16)8-13-15(9)19-14(18-13)7-10-3-2-4-12(17)6-10/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyXQSOIEFEXHXNLD-UHFFFAOYSA-N
MW319.18 g/mol
LogP4.36
Rot. Bonds2

About 6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole

6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole (PubChem CID 104574451) has the molecular formula C15H12BrFN2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
PubChem CID104574451
Molecular FormulaC15H12BrFN2
Molecular Weight319.18 g/mol
Exact Mass318.02
IUPAC Name6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(Cc3cccc(F)c3)nc12
InChIInChI=1S/C15H12BrFN2/c1-9-5-11(16)8-13-15(9)19-14(18-13)7-10-3-2-4-12(17)6-10/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyXQSOIEFEXHXNLD-UHFFFAOYSA-N
XLogP4.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole
CID 82946873
5-bromo-2-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479199
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 104574138
6-bromo-2-(3,3-dimethylbutyl)-4-methyl-1H-benzimidazole
CID 114212796
6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole
CID 104574519
6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
CID 104574434
6-bromo-2-[3-(chloromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 113428428
2-benzyl-4-chloro-6-fluoro-1H-benzimidazole
CID 134115858
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574246
2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine
CID 113428425
2-[(3-bromophenyl)methyl]-1H-benzimidazol-4-amine
CID 63690491

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole (CID 104574451) is 6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole is Cc1cc(Br)cc2[nH]c(Cc3cccc(F)c3)nc12.
What is the InChIKey of 6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole?
The InChIKey is XQSOIEFEXHXNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2/c1-9-5-11(16)8-13-15(9)19-14(18-13)7-10-3-2-4-12(17)6-10/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of 6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole?
6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole has a molecular weight of 319.18 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 104574451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).