1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol

C13H16N2O2 — CID 121305500

IUPAC1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol
SMILESCC(C)C(O)(Oc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C13H16N2O2/c1-10(2)13(16,12-8-14-9-15-12)17-11-6-4-3-5-7-11/h3-10,16H,1-2H3,(H,14,15)
InChIKeyCCQBOENZADGDKS-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.29
Rot. Bonds4

About 1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol

1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol (PubChem CID 121305500) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol
PubChem CID121305500
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol
SMILESCC(C)C(O)(Oc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C13H16N2O2/c1-10(2)13(16,12-8-14-9-15-12)17-11-6-4-3-5-7-11/h3-10,16H,1-2H3,(H,14,15)
InChIKeyCCQBOENZADGDKS-UHFFFAOYSA-N
XLogP2.29
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol?
The IUPAC name of 1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol (CID 121305500) is 1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol?
The canonical SMILES for 1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol is CC(C)C(O)(Oc1ccccc1)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol?
The InChIKey is CCQBOENZADGDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(2)13(16,12-8-14-9-15-12)17-11-6-4-3-5-7-11/h3-10,16H,1-2H3,(H,14,15).
What are the key properties of 1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol?
1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol has a molecular weight of 232.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-2-methyl-1-phenoxypropan-1-ol is sourced from PubChem (CID 121305500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).