5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole

C18H18N2O2 — CID 67692655

IUPAC5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole
SMILESc1ccc(Oc2ccccc2OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-8-16(9-3-1)22-18-11-5-4-10-17(18)21-12-6-7-15-13-19-14-20-15/h1-5,8-11,13-14H,6-7,12H2,(H,19,20)
InChIKeyDVXPJOVUGKFYHB-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.21
Rot. Bonds7

About 5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole

5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole (PubChem CID 67692655) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole
PubChem CID67692655
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole
SMILESc1ccc(Oc2ccccc2OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H18N2O2/c1-2-8-16(9-3-1)22-18-11-5-4-10-17(18)21-12-6-7-15-13-19-14-20-15/h1-5,8-11,13-14H,6-7,12H2,(H,19,20)
InChIKeyDVXPJOVUGKFYHB-UHFFFAOYSA-N
XLogP4.21
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[3-(2-nitrophenoxy)propyl]-1H-imidazole
CID 173130185
5-[3-(2-cyclohexylphenoxy)propyl]-1H-imidazole
CID 173323765
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
3-[3-(1H-imidazol-5-yl)propoxy]phenol;oxalic acid
CID 21193622
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone
CID 10567715
[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanethiol
CID 87662551
4-[3-(1H-imidazol-5-yl)propoxy]thiobenzaldehyde
CID 21193608
3-(2-phenoxyphenoxy)propan-1-ol
CID 54477263
2-(2-phenoxyphenoxy)ethanamine
CID 18769450
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
5-[3-[(2-methylsulfanylphenyl)methoxy]propyl]-1H-imidazole
CID 70248146
2-[3-(1H-imidazol-5-yl)propoxy]acetic acid;hydrochloride
CID 19766310

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole (CID 67692655) is 5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole is c1ccc(Oc2ccccc2OCCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole?
The InChIKey is DVXPJOVUGKFYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-8-16(9-3-1)22-18-11-5-4-10-17(18)21-12-6-7-15-13-19-14-20-15/h1-5,8-11,13-14H,6-7,12H2,(H,19,20).
What are the key properties of 5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole?
5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole has a molecular weight of 294.35 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole is sourced from PubChem (CID 67692655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).