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

C13H18FN3 — CID 62377244

IUPAC1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2ccc(F)cc2n1CC
InChIInChI=1S/C13H18FN3/c1-3-5-10(15)13-16-11-7-6-9(14)8-12(11)17(13)4-2/h6-8,10H,3-5,15H2,1-2H3
InChIKeyQOMUMRUEKXKVQF-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.00
Rot. Bonds4

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

1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine (PubChem CID 62377244) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine
PubChem CID62377244
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine
SMILESCCCC(N)c1nc2ccc(F)cc2n1CC
InChIInChI=1S/C13H18FN3/c1-3-5-10(15)13-16-11-7-6-9(14)8-12(11)17(13)4-2/h6-8,10H,3-5,15H2,1-2H3
InChIKeyQOMUMRUEKXKVQF-UHFFFAOYSA-N
XLogP3.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine (CID 62377244) is 1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine is CCCC(N)c1nc2ccc(F)cc2n1CC.
What is the InChIKey of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine?
The InChIKey is QOMUMRUEKXKVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-3-5-10(15)13-16-11-7-6-9(14)8-12(11)17(13)4-2/h6-8,10H,3-5,15H2,1-2H3.
What are the key properties of 1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine?
1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine has a molecular weight of 235.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 62377244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).