2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine

C15H14FN3 — CID 63793363

IUPAC2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
SMILESNCCc1cccc(-c2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C15H14FN3/c16-12-4-5-13-14(9-12)19-15(18-13)11-3-1-2-10(8-11)6-7-17/h1-5,8-9H,6-7,17H2,(H,18,19)
InChIKeyAJPHRYWFJKLBMY-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.87
Rot. Bonds3

About 2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine

2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine (PubChem CID 63793363) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
PubChem CID63793363
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
SMILESNCCc1cccc(-c2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C15H14FN3/c16-12-4-5-13-14(9-12)19-15(18-13)11-3-1-2-10(8-11)6-7-17/h1-5,8-9H,6-7,17H2,(H,18,19)
InChIKeyAJPHRYWFJKLBMY-UHFFFAOYSA-N
XLogP2.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine (CID 63793363) is 2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine is NCCc1cccc(-c2nc3ccc(F)cc3[nH]2)c1.
What is the InChIKey of 2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine?
The InChIKey is AJPHRYWFJKLBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-12-4-5-13-14(9-12)19-15(18-13)11-3-1-2-10(8-11)6-7-17/h1-5,8-9H,6-7,17H2,(H,18,19).
What are the key properties of 2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine?
2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine has a molecular weight of 255.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 63793363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).