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

C14H17F2N3 — CID 55088076

IUPAC1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine
SMILESCC(NCCn1cnc2cc(F)c(F)cc21)C1CC1
InChIInChI=1S/C14H17F2N3/c1-9(10-2-3-10)17-4-5-19-8-18-13-6-11(15)12(16)7-14(13)19/h6-10,17H,2-5H2,1H3
InChIKeyGOXQSLNPSGQDKO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.70
Rot. Bonds5

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

1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine (PubChem CID 55088076) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine
PubChem CID55088076
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine
SMILESCC(NCCn1cnc2cc(F)c(F)cc21)C1CC1
InChIInChI=1S/C14H17F2N3/c1-9(10-2-3-10)17-4-5-19-8-18-13-6-11(15)12(16)7-14(13)19/h6-10,17H,2-5H2,1H3
InChIKeyGOXQSLNPSGQDKO-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine (CID 55088076) is 1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine is CC(NCCn1cnc2cc(F)c(F)cc21)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine?
The InChIKey is GOXQSLNPSGQDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-9(10-2-3-10)17-4-5-19-8-18-13-6-11(15)12(16)7-14(13)19/h6-10,17H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine has a molecular weight of 265.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 55088076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).