2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine

C14H17F2N3O — CID 82146150

IUPAC2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine
SMILESNCCOCCn1c(C2CC2)nc2cc(F)c(F)cc21
InChIInChI=1S/C14H17F2N3O/c15-10-7-12-13(8-11(10)16)19(4-6-20-5-3-17)14(18-12)9-1-2-9/h7-9H,1-6,17H2
InChIKeyVFSAPKHXVJHWOW-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.17
Rot. Bonds6

About 2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine

2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine (PubChem CID 82146150) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine
PubChem CID82146150
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine
SMILESNCCOCCn1c(C2CC2)nc2cc(F)c(F)cc21
InChIInChI=1S/C14H17F2N3O/c15-10-7-12-13(8-11(10)16)19(4-6-20-5-3-17)14(18-12)9-1-2-9/h7-9H,1-6,17H2
InChIKeyVFSAPKHXVJHWOW-UHFFFAOYSA-N
XLogP2.17
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.17
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-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine (CID 82146150) is 2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine is NCCOCCn1c(C2CC2)nc2cc(F)c(F)cc21.
What is the InChIKey of 2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine?
The InChIKey is VFSAPKHXVJHWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c15-10-7-12-13(8-11(10)16)19(4-6-20-5-3-17)14(18-12)9-1-2-9/h7-9H,1-6,17H2.
What are the key properties of 2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine?
2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine has a molecular weight of 281.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 82146150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).