5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile

C15H15FN4 — CID 107883281

IUPAC5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(Cn2ccnc2CNC2CC2)ccc1F
InChIInChI=1S/C15H15FN4/c16-14-4-1-11(7-12(14)8-17)10-20-6-5-18-15(20)9-19-13-2-3-13/h1,4-7,13,19H,2-3,9-10H2
InChIKeyJVUXEDXOXMUHLG-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.19
Rot. Bonds5

About 5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile

5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile (PubChem CID 107883281) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile
PubChem CID107883281
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(Cn2ccnc2CNC2CC2)ccc1F
InChIInChI=1S/C15H15FN4/c16-14-4-1-11(7-12(14)8-17)10-20-6-5-18-15(20)9-19-13-2-3-13/h1,4-7,13,19H,2-3,9-10H2
InChIKeyJVUXEDXOXMUHLG-UHFFFAOYSA-N
XLogP2.19
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile (CID 107883281) is 5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile is N#Cc1cc(Cn2ccnc2CNC2CC2)ccc1F.
What is the InChIKey of 5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile?
The InChIKey is JVUXEDXOXMUHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c16-14-4-1-11(7-12(14)8-17)10-20-6-5-18-15(20)9-19-13-2-3-13/h1,4-7,13,19H,2-3,9-10H2.
What are the key properties of 5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile?
5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile has a molecular weight of 270.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(cyclopropylamino)methyl]imidazol-1-yl]methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 107883281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).