2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide

C8H12N4O — CID 114717394

IUPAC2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide
SMILESNC(=O)Cn1cncc1C1CNC1
InChIInChI=1S/C8H12N4O/c9-8(13)4-12-5-11-3-7(12)6-1-10-2-6/h3,5-6,10H,1-2,4H2,(H2,9,13)
InChIKeyVXBGXHCTXVAFCY-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.94
Rot. Bonds3

About 2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide

2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide (PubChem CID 114717394) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide
PubChem CID114717394
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide
SMILESNC(=O)Cn1cncc1C1CNC1
InChIInChI=1S/C8H12N4O/c9-8(13)4-12-5-11-3-7(12)6-1-10-2-6/h3,5-6,10H,1-2,4H2,(H2,9,13)
InChIKeyVXBGXHCTXVAFCY-UHFFFAOYSA-N
XLogP-0.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide?
The IUPAC name of 2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide (CID 114717394) is 2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide?
The canonical SMILES for 2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide is NC(=O)Cn1cncc1C1CNC1.
What is the InChIKey of 2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide?
The InChIKey is VXBGXHCTXVAFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-8(13)4-12-5-11-3-7(12)6-1-10-2-6/h3,5-6,10H,1-2,4H2,(H2,9,13).
What are the key properties of 2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide?
2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide has a molecular weight of 180.21 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide is sourced from PubChem (CID 114717394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).