2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine

C9H9BrFN3 — CID 84805700

IUPAC2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine
SMILESNCCn1c(Br)nc2cc(F)ccc21
InChIInChI=1S/C9H9BrFN3/c10-9-13-7-5-6(11)1-2-8(7)14(9)4-3-12/h1-2,5H,3-4,12H2
InChIKeyCTFRBDGIOYJQSQ-UHFFFAOYSA-N
MW258.09 g/mol
LogP1.90
Rot. Bonds2

About 2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine

2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine (PubChem CID 84805700) has the molecular formula C9H9BrFN3 and a molecular weight of 258.09 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine
PubChem CID84805700
Molecular FormulaC9H9BrFN3
Molecular Weight258.09 g/mol
Exact Mass257.00
IUPAC Name2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine
SMILESNCCn1c(Br)nc2cc(F)ccc21
InChIInChI=1S/C9H9BrFN3/c10-9-13-7-5-6(11)1-2-8(7)14(9)4-3-12/h1-2,5H,3-4,12H2
InChIKeyCTFRBDGIOYJQSQ-UHFFFAOYSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310602
1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine
CID 115144201
4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
CID 82310864
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
2-(chloromethyl)-5-fluoro-1-(4-fluorobutyl)benzimidazole
CID 90307136
[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol
CID 90307140
3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine
CID 82310804
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
CID 82310809
2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
CID 82332038
2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
CID 82332408
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine (CID 84805700) is 2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine is NCCn1c(Br)nc2cc(F)ccc21.
What is the InChIKey of 2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine?
The InChIKey is CTFRBDGIOYJQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN3/c10-9-13-7-5-6(11)1-2-8(7)14(9)4-3-12/h1-2,5H,3-4,12H2.
What are the key properties of 2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine?
2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine has a molecular weight of 258.09 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 84805700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).