N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine

C14H20FN3 — CID 62327256

IUPACN-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
SMILESCCNCCc1nc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C14H20FN3/c1-4-16-8-7-14-17-12-9-11(15)5-6-13(12)18(14)10(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3
InChIKeyOSMZERQCAMIAAM-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.91
Rot. Bonds5

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

N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine (PubChem CID 62327256) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
PubChem CID62327256
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
SMILESCCNCCc1nc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C14H20FN3/c1-4-16-8-7-14-17-12-9-11(15)5-6-13(12)18(14)10(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3
InChIKeyOSMZERQCAMIAAM-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine (CID 62327256) is N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine is CCNCCc1nc2cc(F)ccc2n1C(C)C.
What is the InChIKey of N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
The InChIKey is OSMZERQCAMIAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-4-16-8-7-14-17-12-9-11(15)5-6-13(12)18(14)10(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine?
N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine has a molecular weight of 249.33 g/mol, XLogP of 2.91, 5 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-propan-2-ylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 62327256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).