2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

C15H14F3N3O — CID 46310275

IUPAC2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)10-3-4-13-12(8-10)20-14(5-6-19)21(13)9-11-2-1-7-22-11/h1-4,7-8H,5-6,9,19H2
InChIKeyQAJRTEHIPKJXQL-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.20
Rot. Bonds4

About 2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (PubChem CID 46310275) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
PubChem CID46310275
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)10-3-4-13-12(8-10)20-14(5-6-19)21(13)9-11-2-1-7-22-11/h1-4,7-8H,5-6,9,19H2
InChIKeyQAJRTEHIPKJXQL-UHFFFAOYSA-N
XLogP3.20
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (CID 46310275) is 2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is NCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is QAJRTEHIPKJXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)10-3-4-13-12(8-10)20-14(5-6-19)21(13)9-11-2-1-7-22-11/h1-4,7-8H,5-6,9,19H2.
What are the key properties of 2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 309.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 46310275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).