5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole

C13H16N2O2 — CID 10681081

IUPAC5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole
SMILESCOc1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N2O2/c1-16-12-4-6-13(7-5-12)17-8-2-3-11-9-14-10-15-11/h4-7,9-10H,2-3,8H2,1H3,(H,14,15)
InChIKeyDEZXFTGWFMDRDA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.43
Rot. Bonds6

About 5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole

5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole (PubChem CID 10681081) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole
PubChem CID10681081
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole
SMILESCOc1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N2O2/c1-16-12-4-6-13(7-5-12)17-8-2-3-11-9-14-10-15-11/h4-7,9-10H,2-3,8H2,1H3,(H,14,15)
InChIKeyDEZXFTGWFMDRDA-UHFFFAOYSA-N
XLogP2.43
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ucl-1390
CID 6421295
4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole
CID 10082417
4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxalic acid
CID 10774476
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136
3-(1H-Imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
CID 10730629
4-{3-[4-(3,3-Dimethyl-but-1-ynyl)-phenoxy]-propyl}-1H-imidazole
CID 10779275
3-(1H-Imidazol-4-yl)propyl 4-(2-(trimethylsilyl)-1-ethynyl)phenyl ether
CID 10780445
N-(2-(1H-imidazol-4-yl)ethyl)-2-phenoxyacetamide
CID 10037511
4-[3-(4-Iodo-phenoxy)-propyl]-1H-imidazole
CID 10592355
4-[3-(3-Trifluoromethyl-phenoxy)-propyl]-1H-imidazole
CID 9838305

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole (CID 10681081) is 5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole is COc1ccc(OCCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole?
The InChIKey is DEZXFTGWFMDRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-12-4-6-13(7-5-12)17-8-2-3-11-9-14-10-15-11/h4-7,9-10H,2-3,8H2,1H3,(H,14,15).
What are the key properties of 5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole?
5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole has a molecular weight of 232.28 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole is sourced from PubChem (CID 10681081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).