N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine

C17H26FN3 — CID 82332232

IUPACN-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine
SMILESCCCCCCn1c(CCNCC)nc2cc(F)ccc21
InChIInChI=1S/C17H26FN3/c1-3-5-6-7-12-21-16-9-8-14(18)13-15(16)20-17(21)10-11-19-4-2/h8-9,13,19H,3-7,10-12H2,1-2H3
InChIKeyHGDUVHYXGZATOV-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.91
Rot. Bonds9

About N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine

N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine (PubChem CID 82332232) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine
PubChem CID82332232
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC NameN-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine
SMILESCCCCCCn1c(CCNCC)nc2cc(F)ccc21
InChIInChI=1S/C17H26FN3/c1-3-5-6-7-12-21-16-9-8-14(18)13-15(16)20-17(21)10-11-19-4-2/h8-9,13,19H,3-7,10-12H2,1-2H3
InChIKeyHGDUVHYXGZATOV-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine
CID 82333656
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62327256
N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333142
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259
N-[3-[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]propyl]methanesulfonamide
CID 106339159
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772507
N-ethyl-2-[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]ethanamine
CID 82333660
N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 82310769
N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82332245
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine (CID 82332232) is N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine is CCCCCCn1c(CCNCC)nc2cc(F)ccc21.
What is the InChIKey of N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine?
The InChIKey is HGDUVHYXGZATOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-3-5-6-7-12-21-16-9-8-14(18)13-15(16)20-17(21)10-11-19-4-2/h8-9,13,19H,3-7,10-12H2,1-2H3.
What are the key properties of N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine?
N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine has a molecular weight of 291.41 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82332232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).