1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole

C17H24N2O2 — CID 40609983

IUPAC1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole
SMILESCC[C@@H](C)c1ccccc1OCCOCCn1ccnc1
InChIInChI=1S/C17H24N2O2/c1-3-15(2)16-6-4-5-7-17(16)21-13-12-20-11-10-19-9-8-18-14-19/h4-9,14-15H,3,10-13H2,1-2H3/t15-/m1/s1
InChIKeyNAACTRCQKUXMRG-OAHLLOKOSA-N
MW288.39 g/mol
LogP3.49
Rot. Bonds9

About 1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole

1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole (PubChem CID 40609983) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole
PubChem CID40609983
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole
SMILESCC[C@@H](C)c1ccccc1OCCOCCn1ccnc1
InChIInChI=1S/C17H24N2O2/c1-3-15(2)16-6-4-5-7-17(16)21-13-12-20-11-10-19-9-8-18-14-19/h4-9,14-15H,3,10-13H2,1-2H3/t15-/m1/s1
InChIKeyNAACTRCQKUXMRG-OAHLLOKOSA-N
XLogP3.49
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.49
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

1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
4-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]morpholine
CID 2923927
1-[2-(2-propoxyethoxy)ethyl]imidazole
CID 54030122
1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole
CID 176721409
1-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 2923591
1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid
CID 44828386
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole
CID 2996043
N-(2-imidazol-1-ylethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 61325312

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole?
The IUPAC name of 1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole (CID 40609983) is 1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole is CC[C@@H](C)c1ccccc1OCCOCCn1ccnc1.
What is the InChIKey of 1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole?
The InChIKey is NAACTRCQKUXMRG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-15(2)16-6-4-5-7-17(16)21-13-12-20-11-10-19-9-8-18-14-19/h4-9,14-15H,3,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole?
1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole has a molecular weight of 288.39 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]imidazole is sourced from PubChem (CID 40609983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).