9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one

C20H28N2O2 — CID 142869426

IUPAC9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one
SMILESCC(=O)CCCCCCCOC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C20H28N2O2/c1-18(23)10-6-3-2-4-9-15-24-20(16-22-14-13-21-17-22)19-11-7-5-8-12-19/h5,7-8,11-14,17,20H,2-4,6,9-10,15-16H2,1H3
InChIKeyUWZJJRHNGAJTMY-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.57
Rot. Bonds12

About 9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one

9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one (PubChem CID 142869426) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one.

Molecular Properties

Compound Name9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one
PubChem CID142869426
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one
SMILESCC(=O)CCCCCCCOC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C20H28N2O2/c1-18(23)10-6-3-2-4-9-15-24-20(16-22-14-13-21-17-22)19-11-7-5-8-12-19/h5,7-8,11-14,17,20H,2-4,6,9-10,15-16H2,1H3
InChIKeyUWZJJRHNGAJTMY-UHFFFAOYSA-N
XLogP4.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-imidazol-1-yl-1-phenylethyl) acetate
CID 3242727
(2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate
CID 164618765
ethyl 11-[1-(2,4-dimethylphenyl)-2-imidazol-1-ylethoxy]undecanoate
CID 142869410
6-(1-phenylethoxy)hexan-2-one
CID 62030605
ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate
CID 139779356
O-[(1R)-2-imidazol-1-yl-1-phenylethyl] methanethioate
CID 22798678
[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] octanoate
CID 21422355
1-[(E)-2-dodecoxy-4-phenylbut-3-enyl]imidazole
CID 21415287
2-benzyl-3-imidazol-1-ylpropanoic acid
CID 15018131
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
1-[2-(3-bromophenyl)-2-phenylmethoxyethyl]imidazole
CID 155549556
benzhydryl 2-imidazol-1-ylacetate
CID 3678349

Frequently Asked Questions

What is the IUPAC name of 9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one?
The IUPAC name of 9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one (CID 142869426) is 9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one.
What is the SMILES notation for 9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one?
The canonical SMILES for 9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one is CC(=O)CCCCCCCOC(Cn1ccnc1)c1ccccc1.
What is the InChIKey of 9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one?
The InChIKey is UWZJJRHNGAJTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-18(23)10-6-3-2-4-9-15-24-20(16-22-14-13-21-17-22)19-11-7-5-8-12-19/h5,7-8,11-14,17,20H,2-4,6,9-10,15-16H2,1H3.
What are the key properties of 9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one?
9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one has a molecular weight of 328.46 g/mol, XLogP of 4.57, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-imidazol-1-yl-1-phenylethoxy)nonan-2-one is sourced from PubChem (CID 142869426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).