5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole

C12H12ClN3 — CID 114716199

IUPAC5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole
SMILESClc1cccc(-n2cncc2C2CNC2)c1
InChIInChI=1S/C12H12ClN3/c13-10-2-1-3-11(4-10)16-8-15-7-12(16)9-5-14-6-9/h1-4,7-9,14H,5-6H2
InChIKeyDQSZFRIDMWSRHC-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.21
Rot. Bonds2

About 5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole

5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole (PubChem CID 114716199) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole
PubChem CID114716199
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole
SMILESClc1cccc(-n2cncc2C2CNC2)c1
InChIInChI=1S/C12H12ClN3/c13-10-2-1-3-11(4-10)16-8-15-7-12(16)9-5-14-6-9/h1-4,7-9,14H,5-6H2
InChIKeyDQSZFRIDMWSRHC-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole (CID 114716199) is 5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole is Clc1cccc(-n2cncc2C2CNC2)c1.
What is the InChIKey of 5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole?
The InChIKey is DQSZFRIDMWSRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-10-2-1-3-11(4-10)16-8-15-7-12(16)9-5-14-6-9/h1-4,7-9,14H,5-6H2.
What are the key properties of 5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole?
5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole has a molecular weight of 233.70 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole is sourced from PubChem (CID 114716199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).