5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile

C11H8F2N4 — CID 68895462

IUPAC5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile
SMILESN#Cc1ncn(Cc2c(F)cccc2F)c1N
InChIInChI=1S/C11H8F2N4/c12-8-2-1-3-9(13)7(8)5-17-6-16-10(4-14)11(17)15/h1-3,6H,5,15H2
InChIKeyDYQJXIKQSKITRX-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.66
Rot. Bonds2

About 5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile

5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile (PubChem CID 68895462) has the molecular formula C11H8F2N4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile
PubChem CID68895462
Molecular FormulaC11H8F2N4
Molecular Weight234.21 g/mol
Exact Mass234.07
IUPAC Name5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile
SMILESN#Cc1ncn(Cc2c(F)cccc2F)c1N
InChIInChI=1S/C11H8F2N4/c12-8-2-1-3-9(13)7(8)5-17-6-16-10(4-14)11(17)15/h1-3,6H,5,15H2
InChIKeyDYQJXIKQSKITRX-UHFFFAOYSA-N
XLogP1.66
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile (CID 68895462) is 5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile is N#Cc1ncn(Cc2c(F)cccc2F)c1N.
What is the InChIKey of 5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile?
The InChIKey is DYQJXIKQSKITRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4/c12-8-2-1-3-9(13)7(8)5-17-6-16-10(4-14)11(17)15/h1-3,6H,5,15H2.
What are the key properties of 5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile?
5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile has a molecular weight of 234.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2,6-difluorophenyl)methyl]imidazole-4-carbonitrile is sourced from PubChem (CID 68895462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).