5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole

C18H27N3 — CID 114721186

IUPAC5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole
SMILESCC12CC3CC(C)(C1)CC(n1cncc1C1CNC1)(C3)C2
InChIInChI=1S/C18H27N3/c1-16-3-13-4-17(2,9-16)11-18(5-13,10-16)21-12-20-8-15(21)14-6-19-7-14/h8,12-14,19H,3-7,9-11H2,1-2H3
InChIKeyZFXDPAXWZFIVGB-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.28
Rot. Bonds2

About 5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole

5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole (PubChem CID 114721186) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole
PubChem CID114721186
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole
SMILESCC12CC3CC(C)(C1)CC(n1cncc1C1CNC1)(C3)C2
InChIInChI=1S/C18H27N3/c1-16-3-13-4-17(2,9-16)11-18(5-13,10-16)21-12-20-8-15(21)14-6-19-7-14/h8,12-14,19H,3-7,9-11H2,1-2H3
InChIKeyZFXDPAXWZFIVGB-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.28
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-(3,5-dimethyl-1-adamantyl)imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole (CID 114721186) is 5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole is CC12CC3CC(C)(C1)CC(n1cncc1C1CNC1)(C3)C2.
What is the InChIKey of 5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole?
The InChIKey is ZFXDPAXWZFIVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-16-3-13-4-17(2,9-16)11-18(5-13,10-16)21-12-20-8-15(21)14-6-19-7-14/h8,12-14,19H,3-7,9-11H2,1-2H3.
What are the key properties of 5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole?
5-(azetidin-3-yl)-1-(3,5-dimethyl-1-adamantyl)imidazole has a molecular weight of 285.44 g/mol, XLogP of 3.28, 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-(3,5-dimethyl-1-adamantyl)imidazole is sourced from PubChem (CID 114721186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).