2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine

C18H20FN3 — CID 82333467

IUPAC2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
SMILESCCc1ccc2c(c1)nc(CCN)n2Cc1ccccc1F
InChIInChI=1S/C18H20FN3/c1-2-13-7-8-17-16(11-13)21-18(9-10-20)22(17)12-14-5-3-4-6-15(14)19/h3-8,11H,2,9-10,12,20H2,1H3
InChIKeyRAXATKBQOKLMKL-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.29
Rot. Bonds5

About 2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine

2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine (PubChem CID 82333467) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
PubChem CID82333467
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
SMILESCCc1ccc2c(c1)nc(CCN)n2Cc1ccccc1F
InChIInChI=1S/C18H20FN3/c1-2-13-7-8-17-16(11-13)21-18(9-10-20)22(17)12-14-5-3-4-6-15(14)19/h3-8,11H,2,9-10,12,20H2,1H3
InChIKeyRAXATKBQOKLMKL-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine (CID 82333467) is 2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine is CCc1ccc2c(c1)nc(CCN)n2Cc1ccccc1F.
What is the InChIKey of 2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The InChIKey is RAXATKBQOKLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-2-13-7-8-17-16(11-13)21-18(9-10-20)22(17)12-14-5-3-4-6-15(14)19/h3-8,11H,2,9-10,12,20H2,1H3.
What are the key properties of 2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine has a molecular weight of 297.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82333467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).