4-[(4-aminoimidazol-1-yl)methyl]benzonitrile

C11H10N4 — CID 165473315

IUPAC4-[(4-aminoimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cnc(N)c2)cc1
InChIInChI=1S/C11H10N4/c12-5-9-1-3-10(4-2-9)6-15-7-11(13)14-8-15/h1-4,7-8H,6,13H2
InChIKeyFWJABZAYQYSXTE-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.39
Rot. Bonds2

About 4-[(4-aminoimidazol-1-yl)methyl]benzonitrile

4-[(4-aminoimidazol-1-yl)methyl]benzonitrile (PubChem CID 165473315) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-[(4-aminoimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-aminoimidazol-1-yl)methyl]benzonitrile
PubChem CID165473315
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name4-[(4-aminoimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cnc(N)c2)cc1
InChIInChI=1S/C11H10N4/c12-5-9-1-3-10(4-2-9)6-15-7-11(13)14-8-15/h1-4,7-8H,6,13H2
InChIKeyFWJABZAYQYSXTE-UHFFFAOYSA-N
XLogP1.39
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminoimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(4-aminoimidazol-1-yl)methyl]benzonitrile (CID 165473315) is 4-[(4-aminoimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(4-aminoimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(4-aminoimidazol-1-yl)methyl]benzonitrile is N#Cc1ccc(Cn2cnc(N)c2)cc1.
What is the InChIKey of 4-[(4-aminoimidazol-1-yl)methyl]benzonitrile?
The InChIKey is FWJABZAYQYSXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c12-5-9-1-3-10(4-2-9)6-15-7-11(13)14-8-15/h1-4,7-8H,6,13H2.
What are the key properties of 4-[(4-aminoimidazol-1-yl)methyl]benzonitrile?
4-[(4-aminoimidazol-1-yl)methyl]benzonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminoimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 165473315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).