3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol

C13H15N3O — CID 105486689

IUPAC3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol
SMILESOc1cccc(-c2ncc(CC3CNC3)[nH]2)c1
InChIInChI=1S/C13H15N3O/c17-12-3-1-2-10(5-12)13-15-8-11(16-13)4-9-6-14-7-9/h1-3,5,8-9,14,17H,4,6-7H2,(H,15,16)
InChIKeyZPRJLPNTQZZFES-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.54
Rot. Bonds3

About 3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol

3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol (PubChem CID 105486689) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol
PubChem CID105486689
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol
SMILESOc1cccc(-c2ncc(CC3CNC3)[nH]2)c1
InChIInChI=1S/C13H15N3O/c17-12-3-1-2-10(5-12)13-15-8-11(16-13)4-9-6-14-7-9/h1-3,5,8-9,14,17H,4,6-7H2,(H,15,16)
InChIKeyZPRJLPNTQZZFES-UHFFFAOYSA-N
XLogP1.54
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol?
The IUPAC name of 3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol (CID 105486689) is 3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol?
The canonical SMILES for 3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol is Oc1cccc(-c2ncc(CC3CNC3)[nH]2)c1.
What is the InChIKey of 3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol?
The InChIKey is ZPRJLPNTQZZFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-12-3-1-2-10(5-12)13-15-8-11(16-13)4-9-6-14-7-9/h1-3,5,8-9,14,17H,4,6-7H2,(H,15,16).
What are the key properties of 3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol?
3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol has a molecular weight of 229.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(azetidin-3-ylmethyl)-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 105486689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).