6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole

C15H12BrFN2 — CID 104574515

IUPAC6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
SMILESCc1ccc(F)cc1-c1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C15H12BrFN2/c1-8-3-4-11(17)7-12(8)15-18-13-6-10(16)5-9(2)14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyZIMKHNQIPYTHDW-UHFFFAOYSA-N
MW319.18 g/mol
LogP4.75
Rot. Bonds1

About 6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole

6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole (PubChem CID 104574515) has the molecular formula C15H12BrFN2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
PubChem CID104574515
Molecular FormulaC15H12BrFN2
Molecular Weight319.18 g/mol
Exact Mass318.02
IUPAC Name6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
SMILESCc1ccc(F)cc1-c1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C15H12BrFN2/c1-8-3-4-11(17)7-12(8)15-18-13-6-10(16)5-9(2)14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyZIMKHNQIPYTHDW-UHFFFAOYSA-N
XLogP4.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-(5-chloro-2-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574371
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292
6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
CID 104574445
6-bromo-2-(4-bromo-3-fluorophenyl)-4-methyl-1H-benzimidazole
CID 104574555
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol
CID 136727868
5-(6-bromo-4-methyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 104574243
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol
CID 136727863
6-bromo-2-(5-bromo-3-pyridinyl)-4-methyl-1H-benzimidazole
CID 104574633
6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole
CID 113428441
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751466
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole (CID 104574515) is 6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole is Cc1ccc(F)cc1-c1nc2c(C)cc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole?
The InChIKey is ZIMKHNQIPYTHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2/c1-8-3-4-11(17)7-12(8)15-18-13-6-10(16)5-9(2)14(13)19-15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole?
6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole has a molecular weight of 319.18 g/mol, XLogP of 4.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 104574515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).