2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole

C15H12BrFN2 — CID 114560132

IUPAC2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3c(F)cccc3Br)[nH]c2c1
InChIInChI=1S/C15H12BrFN2/c1-8-6-9(2)14-12(7-8)18-15(19-14)13-10(16)4-3-5-11(13)17/h3-7H,1-2H3,(H,18,19)
InChIKeyFWLBOYJEYSKQCQ-UHFFFAOYSA-N
MW319.18 g/mol
LogP4.75
Rot. Bonds1

About 2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole

2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole (PubChem CID 114560132) has the molecular formula C15H12BrFN2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
PubChem CID114560132
Molecular FormulaC15H12BrFN2
Molecular Weight319.18 g/mol
Exact Mass318.02
IUPAC Name2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3c(F)cccc3Br)[nH]c2c1
InChIInChI=1S/C15H12BrFN2/c1-8-6-9(2)14-12(7-8)18-15(19-14)13-10(16)4-3-5-11(13)17/h3-7H,1-2H3,(H,18,19)
InChIKeyFWLBOYJEYSKQCQ-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

2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 114560127
2-(2-bromo-6-fluorophenyl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 114560120
2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
6-bromo-2-(2-bromo-6-fluorophenyl)-1H-benzimidazole
CID 114560115
2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
CID 114560131
2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114373909
4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 64723101
3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82946597
2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole
CID 70101397
methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate
CID 114560144
4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 115911920
8-(2-bromo-6-fluorophenyl)-7H-purine
CID 114560138

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole (CID 114560132) is 2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(-c3c(F)cccc3Br)[nH]c2c1.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole?
The InChIKey is FWLBOYJEYSKQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2/c1-8-6-9(2)14-12(7-8)18-15(19-14)13-10(16)4-3-5-11(13)17/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole?
2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-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 2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 114560132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).