2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine

C11H13BrFN3 — CID 79630736

IUPAC2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine
SMILESCCNCCc1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C11H13BrFN3/c1-2-14-4-3-11-15-9-5-7(12)8(13)6-10(9)16-11/h5-6,14H,2-4H2,1H3,(H,15,16)
InChIKeyIIUPEGSENBGHCG-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.62
Rot. Bonds4

About 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine

2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine (PubChem CID 79630736) has the molecular formula C11H13BrFN3 and a molecular weight of 286.15 g/mol. Its IUPAC name is 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine
PubChem CID79630736
Molecular FormulaC11H13BrFN3
Molecular Weight286.15 g/mol
Exact Mass285.03
IUPAC Name2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine
SMILESCCNCCc1nc2cc(Br)c(F)cc2[nH]1
InChIInChI=1S/C11H13BrFN3/c1-2-14-4-3-11-15-9-5-7(12)8(13)6-10(9)16-11/h5-6,14H,2-4H2,1H3,(H,15,16)
InChIKeyIIUPEGSENBGHCG-UHFFFAOYSA-N
XLogP2.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-fluoro-2-octyl-1H-benzimidazole
CID 79631418
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336878
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336897
5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
CID 79631505
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
CID 79631603
5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole
CID 79631618
N-ethyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 81456799
5-bromo-6-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole
CID 103208877
2-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 81073477
5-bromo-2-[(2,5-dimethylphenyl)methyl]-6-fluoro-1H-benzimidazole
CID 79631232

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine (CID 79630736) is 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine is CCNCCc1nc2cc(Br)c(F)cc2[nH]1.
What is the InChIKey of 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine?
The InChIKey is IIUPEGSENBGHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3/c1-2-14-4-3-11-15-9-5-7(12)8(13)6-10(9)16-11/h5-6,14H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine?
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine has a molecular weight of 286.15 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine is sourced from PubChem (CID 79630736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).