2-bromo-7-fluoro-4-methyl-1H-benzimidazole

C8H6BrFN2 — CID 130051800

IUPAC2-bromo-7-fluoro-4-methyl-1H-benzimidazole
SMILESCc1ccc(F)c2[nH]c(Br)nc12
InChIInChI=1S/C8H6BrFN2/c1-4-2-3-5(10)7-6(4)11-8(9)12-7/h2-3H,1H3,(H,11,12)
InChIKeyGRDIBXCHSNUYJH-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.77
Rot. Bonds

About 2-bromo-7-fluoro-4-methyl-1H-benzimidazole

2-bromo-7-fluoro-4-methyl-1H-benzimidazole (PubChem CID 130051800) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 2-bromo-7-fluoro-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-bromo-7-fluoro-4-methyl-1H-benzimidazole
PubChem CID130051800
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name2-bromo-7-fluoro-4-methyl-1H-benzimidazole
SMILESCc1ccc(F)c2[nH]c(Br)nc12
InChIInChI=1S/C8H6BrFN2/c1-4-2-3-5(10)7-6(4)11-8(9)12-7/h2-3H,1H3,(H,11,12)
InChIKeyGRDIBXCHSNUYJH-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4,5,6,7-tetramethyl-1H-benzimidazole
CID 18966898
3-bromo-5-(2,6-difluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 112571688
7-iodo-2,4-dimethyl-1H-benzimidazole
CID 133055753
ethane;7-fluoro-4-methyl-1H-indazole
CID 163257667
2,3-dibromo-5,8-difluoroquinoxaline
CID 125451989
6-bromo-3-fluoro-2-methylpyridine
CID 118703748
5-fluoro-3,8-dimethylquinolin-2-amine
CID 63231677
7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 15050569
2,4-dimethyl-7-propan-2-yl-1H-benzimidazole
CID 70642266
2-chloro-5-fluoro-4,8-dimethylquinazoline
CID 130051303
6-bromo-2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 104574515
2-chloro-3-ethyl-5-fluoro-8-methylquinazolin-4-one
CID 114693088

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-fluoro-4-methyl-1H-benzimidazole?
The IUPAC name of 2-bromo-7-fluoro-4-methyl-1H-benzimidazole (CID 130051800) is 2-bromo-7-fluoro-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-bromo-7-fluoro-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-bromo-7-fluoro-4-methyl-1H-benzimidazole is Cc1ccc(F)c2[nH]c(Br)nc12.
What is the InChIKey of 2-bromo-7-fluoro-4-methyl-1H-benzimidazole?
The InChIKey is GRDIBXCHSNUYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c1-4-2-3-5(10)7-6(4)11-8(9)12-7/h2-3H,1H3,(H,11,12).
What are the key properties of 2-bromo-7-fluoro-4-methyl-1H-benzimidazole?
2-bromo-7-fluoro-4-methyl-1H-benzimidazole has a molecular weight of 229.05 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-fluoro-4-methyl-1H-benzimidazole is sourced from PubChem (CID 130051800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).