2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine

C15H15N3O — CID 65361729

IUPAC2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine
SMILESNCCc1ccc(Oc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H15N3O/c16-10-9-11-5-7-12(8-6-11)19-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10,16H2,(H,17,18)
InChIKeyXPQRSDFIVJDZOD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.86
Rot. Bonds4

About 2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine

2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine (PubChem CID 65361729) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine
PubChem CID65361729
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine
SMILESNCCc1ccc(Oc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H15N3O/c16-10-9-11-5-7-12(8-6-11)19-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10,16H2,(H,17,18)
InChIKeyXPQRSDFIVJDZOD-UHFFFAOYSA-N
XLogP2.86
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine (CID 65361729) is 2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine is NCCc1ccc(Oc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine?
The InChIKey is XPQRSDFIVJDZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-10-9-11-5-7-12(8-6-11)19-15-17-13-3-1-2-4-14(13)18-15/h1-8H,9-10,16H2,(H,17,18).
What are the key properties of 2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine?
2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 65361729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).