2-bromo-7-fluoro-1-methylbenzimidazole

C8H6BrFN2 — CID 83840138

IUPAC2-bromo-7-fluoro-1-methylbenzimidazole
SMILESCn1c(Br)nc2cccc(F)c21
InChIInChI=1S/C8H6BrFN2/c1-12-7-5(10)3-2-4-6(7)11-8(12)9/h2-4H,1H3
InChIKeyLANOBUBPGTVLLJ-UHFFFAOYSA-N
MW229.05 g/mol
LogP2.47
Rot. Bonds

About 2-bromo-7-fluoro-1-methylbenzimidazole

2-bromo-7-fluoro-1-methylbenzimidazole (PubChem CID 83840138) has the molecular formula C8H6BrFN2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 2-bromo-7-fluoro-1-methylbenzimidazole.

Molecular Properties

Compound Name2-bromo-7-fluoro-1-methylbenzimidazole
PubChem CID83840138
Molecular FormulaC8H6BrFN2
Molecular Weight229.05 g/mol
Exact Mass227.97
IUPAC Name2-bromo-7-fluoro-1-methylbenzimidazole
SMILESCn1c(Br)nc2cccc(F)c21
InChIInChI=1S/C8H6BrFN2/c1-12-7-5(10)3-2-4-6(7)11-8(12)9/h2-4H,1H3
InChIKeyLANOBUBPGTVLLJ-UHFFFAOYSA-N
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-fluoro-3-methylquinazolin-4-one
CID 175890826
2-(chloromethyl)-7-fluoro-1-methylbenzimidazole
CID 83428061
4-(7-fluoro-1-methylbenzimidazol-2-yl)-1H-pyrazol-5-amine
CID 112741020
2-[(7-fluoro-1-methylbenzimidazol-2-yl)amino]acetic acid
CID 83838990
2-[(7-fluoro-1-methylbenzimidazol-2-yl)-methylamino]acetic acid
CID 83842401
1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine
CID 83838714
3-bromo-7-fluoro-1,2-dimethylindole
CID 82279918
2-[(3S)-3-ethylpiperidin-1-yl]-7-fluoro-1-methylbenzimidazole
CID 124741801
3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 112741025
3-bromo-7-fluoro-1-methylindole
CID 154562151
2-(2-chloroethyl)-1-ethyl-7-fluorobenzimidazole
CID 130526495
8-bromo-1,3-dimethylquinoxalin-2-one
CID 75486181

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-fluoro-1-methylbenzimidazole?
The IUPAC name of 2-bromo-7-fluoro-1-methylbenzimidazole (CID 83840138) is 2-bromo-7-fluoro-1-methylbenzimidazole.
What is the SMILES notation for 2-bromo-7-fluoro-1-methylbenzimidazole?
The canonical SMILES for 2-bromo-7-fluoro-1-methylbenzimidazole is Cn1c(Br)nc2cccc(F)c21.
What is the InChIKey of 2-bromo-7-fluoro-1-methylbenzimidazole?
The InChIKey is LANOBUBPGTVLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2/c1-12-7-5(10)3-2-4-6(7)11-8(12)9/h2-4H,1H3.
What are the key properties of 2-bromo-7-fluoro-1-methylbenzimidazole?
2-bromo-7-fluoro-1-methylbenzimidazole has a molecular weight of 229.05 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-fluoro-1-methylbenzimidazole is sourced from PubChem (CID 83840138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).