1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole

C17H20N4O — CID 56880138

IUPAC1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole
SMILESCC(C)n1ccnc1-c1nccn1CCOc1ccccc1
InChIInChI=1S/C17H20N4O/c1-14(2)21-11-9-19-17(21)16-18-8-10-20(16)12-13-22-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyLSVVFFSJSLLFAX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.41
Rot. Bonds6

About 1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole

1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole (PubChem CID 56880138) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole
PubChem CID56880138
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole
SMILESCC(C)n1ccnc1-c1nccn1CCOc1ccccc1
InChIInChI=1S/C17H20N4O/c1-14(2)21-11-9-19-17(21)16-18-8-10-20(16)12-13-22-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
InChIKeyLSVVFFSJSLLFAX-UHFFFAOYSA-N
XLogP3.41
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylsulfonylphenyl)-1-(2-phenoxyethyl)imidazole
CID 56871314
2-phenyl-1-propan-2-ylimidazole
CID 12997870
1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106563808
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid
CID 63074432
1-ethyl-3-(2-phenoxyethyl)imidazol-2-one
CID 116624118
N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine
CID 115494840
N-(3-fluorophenyl)-3-[2-(1-propan-2-ylimidazol-2-yl)imidazol-1-yl]propanamide
CID 70731032
2-[1-(3-phenoxypropyl)imidazol-2-yl]sulfanylacetic acid
CID 62380046
1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol
CID 61493838
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole?
The IUPAC name of 1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole (CID 56880138) is 1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole.
What is the SMILES notation for 1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole?
The canonical SMILES for 1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole is CC(C)n1ccnc1-c1nccn1CCOc1ccccc1.
What is the InChIKey of 1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole?
The InChIKey is LSVVFFSJSLLFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-14(2)21-11-9-19-17(21)16-18-8-10-20(16)12-13-22-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole?
1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole has a molecular weight of 296.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-2-(1-propan-2-ylimidazol-2-yl)imidazole is sourced from PubChem (CID 56880138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).