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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Related Compounds

2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol
CID 81431977
3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine
CID 82305555
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187
3-[[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]methyl]aniline
CID 44524923
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
CID 63794425
2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
CID 82304182
2-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
CID 44525119
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
6-fluoro-2-(2-phenylpyrimidin-5-yl)-1H-benzimidazole
CID 56796622

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).