2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine

C15H14F2N4 — CID 62564103

IUPAC2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESFc1cc2ncn(CCNCc3ccccn3)c2cc1F
InChIInChI=1S/C15H14F2N4/c16-12-7-14-15(8-13(12)17)21(10-20-14)6-5-18-9-11-3-1-2-4-19-11/h1-4,7-8,10,18H,5-6,9H2
InChIKeyOPLPFJULHOZSFR-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.50
Rot. Bonds5

About 2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine

2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 62564103) has the molecular formula C15H14F2N4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID62564103
Molecular FormulaC15H14F2N4
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Name2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESFc1cc2ncn(CCNCc3ccccn3)c2cc1F
InChIInChI=1S/C15H14F2N4/c16-12-7-14-15(8-13(12)17)21(10-20-14)6-5-18-9-11-3-1-2-4-19-11/h1-4,7-8,10,18H,5-6,9H2
InChIKeyOPLPFJULHOZSFR-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine (CID 62564103) is 2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine is Fc1cc2ncn(CCNCc3ccccn3)c2cc1F.
What is the InChIKey of 2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is OPLPFJULHOZSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4/c16-12-7-14-15(8-13(12)17)21(10-20-14)6-5-18-9-11-3-1-2-4-19-11/h1-4,7-8,10,18H,5-6,9H2.
What are the key properties of 2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 288.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62564103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).