4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol

C13H15N3O — CID 105486703

IUPAC4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol
SMILESCc1[nH]c(C2CNC2)nc1-c1ccc(O)cc1
InChIInChI=1S/C13H15N3O/c1-8-12(9-2-4-11(17)5-3-9)16-13(15-8)10-6-14-7-10/h2-5,10,14,17H,6-7H2,1H3,(H,15,16)
InChIKeyAFQQXDCKEAWUMR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.78
Rot. Bonds2

About 4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol

4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol (PubChem CID 105486703) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol
PubChem CID105486703
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol
SMILESCc1[nH]c(C2CNC2)nc1-c1ccc(O)cc1
InChIInChI=1S/C13H15N3O/c1-8-12(9-2-4-11(17)5-3-9)16-13(15-8)10-6-14-7-10/h2-5,10,14,17H,6-7H2,1H3,(H,15,16)
InChIKeyAFQQXDCKEAWUMR-UHFFFAOYSA-N
XLogP1.78
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol?
The IUPAC name of 4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol (CID 105486703) is 4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol.
What is the SMILES notation for 4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol?
The canonical SMILES for 4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol is Cc1[nH]c(C2CNC2)nc1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol?
The InChIKey is AFQQXDCKEAWUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-12(9-2-4-11(17)5-3-9)16-13(15-8)10-6-14-7-10/h2-5,10,14,17H,6-7H2,1H3,(H,15,16).
What are the key properties of 4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol?
4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol has a molecular weight of 229.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)-5-methyl-1H-imidazol-4-yl]phenol is sourced from PubChem (CID 105486703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).