4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile

C14H11F3N4 — CID 129139571

IUPAC4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(C(F)(F)F)cn2C2CNC2)cc1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)12-8-21(11-6-19-7-11)13(20-12)10-3-1-9(5-18)2-4-10/h1-4,8,11,19H,6-7H2
InChIKeyXBSVWRMDLHOUNY-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.58
Rot. Bonds2

About 4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile

4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile (PubChem CID 129139571) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile
PubChem CID129139571
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(C(F)(F)F)cn2C2CNC2)cc1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)12-8-21(11-6-19-7-11)13(20-12)10-3-1-9(5-18)2-4-10/h1-4,8,11,19H,6-7H2
InChIKeyXBSVWRMDLHOUNY-UHFFFAOYSA-N
XLogP2.58
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile?
The IUPAC name of 4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile (CID 129139571) is 4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile?
The canonical SMILES for 4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile is N#Cc1ccc(-c2nc(C(F)(F)F)cn2C2CNC2)cc1.
What is the InChIKey of 4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile?
The InChIKey is XBSVWRMDLHOUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)12-8-21(11-6-19-7-11)13(20-12)10-3-1-9(5-18)2-4-10/h1-4,8,11,19H,6-7H2.
What are the key properties of 4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile?
4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile has a molecular weight of 292.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile is sourced from PubChem (CID 129139571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).