2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole

C10H10ClN3S — CID 116877436

IUPAC2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole
SMILESClc1ccc(-c2cnc(C3CNC3)[nH]2)s1
InChIInChI=1S/C10H10ClN3S/c11-9-2-1-8(15-9)7-5-13-10(14-7)6-3-12-4-6/h1-2,5-6,12H,3-4H2,(H,13,14)
InChIKeyHSJVEECTNAMPNJ-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.48
Rot. Bonds2

About 2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole

2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole (PubChem CID 116877436) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole
PubChem CID116877436
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole
SMILESClc1ccc(-c2cnc(C3CNC3)[nH]2)s1
InChIInChI=1S/C10H10ClN3S/c11-9-2-1-8(15-9)7-5-13-10(14-7)6-3-12-4-6/h1-2,5-6,12H,3-4H2,(H,13,14)
InChIKeyHSJVEECTNAMPNJ-UHFFFAOYSA-N
XLogP2.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole?
The IUPAC name of 2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole (CID 116877436) is 2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole is Clc1ccc(-c2cnc(C3CNC3)[nH]2)s1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole?
The InChIKey is HSJVEECTNAMPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c11-9-2-1-8(15-9)7-5-13-10(14-7)6-3-12-4-6/h1-2,5-6,12H,3-4H2,(H,13,14).
What are the key properties of 2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole?
2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole has a molecular weight of 239.73 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(5-chlorothiophen-2-yl)-1H-imidazole is sourced from PubChem (CID 116877436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).