2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine

C14H20FN3 — CID 65220732

IUPAC2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
SMILESCCCC(CN)c1nc2ccc(F)cc2n1CC
InChIInChI=1S/C14H20FN3/c1-3-5-10(9-16)14-17-12-7-6-11(15)8-13(12)18(14)4-2/h6-8,10H,3-5,9,16H2,1-2H3
InChIKeyKJNPIBITFJMDJF-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.04
Rot. Bonds5

About 2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine

2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine (PubChem CID 65220732) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
PubChem CID65220732
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
SMILESCCCC(CN)c1nc2ccc(F)cc2n1CC
InChIInChI=1S/C14H20FN3/c1-3-5-10(9-16)14-17-12-7-6-11(15)8-13(12)18(14)4-2/h6-8,10H,3-5,9,16H2,1-2H3
InChIKeyKJNPIBITFJMDJF-UHFFFAOYSA-N
XLogP3.04
TPSA43.84 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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine
CID 62377244
2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65220782
3-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 80539721
1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 62377585
cyclohexyl-(1-ethyl-6-fluorobenzimidazol-2-yl)methanamine
CID 62377258
3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153985
2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole
CID 63772335
3-(6-fluoro-1-methylbenzimidazol-2-yl)butan-1-amine
CID 80539695
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
3-amino-1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-ol
CID 107835425
2-(1-ethylbenzimidazol-2-yl)-3-phenylpropan-1-amine
CID 83976225

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine (CID 65220732) is 2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine is CCCC(CN)c1nc2ccc(F)cc2n1CC.
What is the InChIKey of 2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine?
The InChIKey is KJNPIBITFJMDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-3-5-10(9-16)14-17-12-7-6-11(15)8-13(12)18(14)4-2/h6-8,10H,3-5,9,16H2,1-2H3.
What are the key properties of 2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine?
2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 65220732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).