5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile

C11H9FN4 — CID 14953228

IUPAC5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile
SMILESN#Cc1ncn(Cc2ccc(F)cc2)c1N
InChIInChI=1S/C11H9FN4/c12-9-3-1-8(2-4-9)6-16-7-15-10(5-13)11(16)14/h1-4,7H,6,14H2
InChIKeyKTRSXUDIEHUOFC-UHFFFAOYSA-N
MW216.22 g/mol
LogP1.52
Rot. Bonds2

About 5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile

5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile (PubChem CID 14953228) has the molecular formula C11H9FN4 and a molecular weight of 216.22 g/mol. Its IUPAC name is 5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile
PubChem CID14953228
Molecular FormulaC11H9FN4
Molecular Weight216.22 g/mol
Exact Mass216.08
IUPAC Name5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile
SMILESN#Cc1ncn(Cc2ccc(F)cc2)c1N
InChIInChI=1S/C11H9FN4/c12-9-3-1-8(2-4-9)6-16-7-15-10(5-13)11(16)14/h1-4,7H,6,14H2
InChIKeyKTRSXUDIEHUOFC-UHFFFAOYSA-N
XLogP1.52
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile (CID 14953228) is 5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile is N#Cc1ncn(Cc2ccc(F)cc2)c1N.
What is the InChIKey of 5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile?
The InChIKey is KTRSXUDIEHUOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4/c12-9-3-1-8(2-4-9)6-16-7-15-10(5-13)11(16)14/h1-4,7H,6,14H2.
What are the key properties of 5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile?
5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile has a molecular weight of 216.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-fluorophenyl)methyl]imidazole-4-carbonitrile is sourced from PubChem (CID 14953228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).