2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine

C14H17F2N3 — CID 82146329

IUPAC2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine
SMILESCC(CN)n1c(C2CCC2)nc2cc(F)c(F)cc21
InChIInChI=1S/C14H17F2N3/c1-8(7-17)19-13-6-11(16)10(15)5-12(13)18-14(19)9-3-2-4-9/h5-6,8-9H,2-4,7,17H2,1H3
InChIKeyWFQYHMMHYKTGDG-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.10
Rot. Bonds3

About 2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine

2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine (PubChem CID 82146329) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine
PubChem CID82146329
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine
SMILESCC(CN)n1c(C2CCC2)nc2cc(F)c(F)cc21
InChIInChI=1S/C14H17F2N3/c1-8(7-17)19-13-6-11(16)10(15)5-12(13)18-14(19)9-3-2-4-9/h5-6,8-9H,2-4,7,17H2,1H3
InChIKeyWFQYHMMHYKTGDG-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine (CID 82146329) is 2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine is CC(CN)n1c(C2CCC2)nc2cc(F)c(F)cc21.
What is the InChIKey of 2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine?
The InChIKey is WFQYHMMHYKTGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-8(7-17)19-13-6-11(16)10(15)5-12(13)18-14(19)9-3-2-4-9/h5-6,8-9H,2-4,7,17H2,1H3.
What are the key properties of 2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine?
2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-5,6-difluorobenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 82146329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).