2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine

C13H15F4N3 — CID 79258311

IUPAC2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCCn1c(CNCC(F)(F)F)nc2ccc(F)cc21
InChIInChI=1S/C13H15F4N3/c1-2-5-20-11-6-9(14)3-4-10(11)19-12(20)7-18-8-13(15,16)17/h3-4,6,18H,2,5,7-8H2,1H3
InChIKeyZIADPMCKOITDFI-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.24
Rot. Bonds5

About 2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine (PubChem CID 79258311) has the molecular formula C13H15F4N3 and a molecular weight of 289.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine
PubChem CID79258311
Molecular FormulaC13H15F4N3
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC Name2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine
SMILESCCCn1c(CNCC(F)(F)F)nc2ccc(F)cc21
InChIInChI=1S/C13H15F4N3/c1-2-5-20-11-6-9(14)3-4-10(11)19-12(20)7-18-8-13(15,16)17/h3-4,6,18H,2,5,7-8H2,1H3
InChIKeyZIADPMCKOITDFI-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine (CID 79258311) is 2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine is CCCn1c(CNCC(F)(F)F)nc2ccc(F)cc21.
What is the InChIKey of 2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine?
The InChIKey is ZIADPMCKOITDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3/c1-2-5-20-11-6-9(14)3-4-10(11)19-12(20)7-18-8-13(15,16)17/h3-4,6,18H,2,5,7-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine has a molecular weight of 289.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 79258311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).