1-[(6-phenoxyoxan-2-yl)methyl]imidazole

C15H18N2O2 — CID 13073919

IUPAC1-[(6-phenoxyoxan-2-yl)methyl]imidazole
SMILESc1ccc(OC2CCCC(Cn3ccnc3)O2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-5-13(6-3-1)18-15-8-4-7-14(19-15)11-17-10-9-16-12-17/h1-3,5-6,9-10,12,14-15H,4,7-8,11H2
InChIKeyQMWNOAAXZXQNGJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.86
Rot. Bonds4

About 1-[(6-phenoxyoxan-2-yl)methyl]imidazole

1-[(6-phenoxyoxan-2-yl)methyl]imidazole (PubChem CID 13073919) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(6-phenoxyoxan-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(6-phenoxyoxan-2-yl)methyl]imidazole
PubChem CID13073919
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[(6-phenoxyoxan-2-yl)methyl]imidazole
SMILESc1ccc(OC2CCCC(Cn3ccnc3)O2)cc1
InChIInChI=1S/C15H18N2O2/c1-2-5-13(6-3-1)18-15-8-4-7-14(19-15)11-17-10-9-16-12-17/h1-3,5-6,9-10,12,14-15H,4,7-8,11H2
InChIKeyQMWNOAAXZXQNGJ-UHFFFAOYSA-N
XLogP2.86
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole
CID 54148970
1-[(5-methyloxolan-2-yl)methyl]imidazole
CID 103140191
1-[[(1R,2S)-2-(imidazol-1-ylmethyl)cyclohexyl]methyl]imidazole
CID 118636677
2-[[4-(imidazol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 70051606
1-(cyclooctylmethyl)imidazole
CID 20550238
(2S)-2-phenoxyoxolane
CID 86339377
(2R)-2-phenoxyoxolane
CID 86339376
2-phenoxyoxolane
CID 11030163
1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846457
2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine
CID 23202756
1-[(3aR,6aS)-5-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-imidazol-1-ylpropan-1-one
CID 110134842
N-[[5-(imidazol-1-ylmethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62448136

Frequently Asked Questions

What is the IUPAC name of 1-[(6-phenoxyoxan-2-yl)methyl]imidazole?
The IUPAC name of 1-[(6-phenoxyoxan-2-yl)methyl]imidazole (CID 13073919) is 1-[(6-phenoxyoxan-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(6-phenoxyoxan-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(6-phenoxyoxan-2-yl)methyl]imidazole is c1ccc(OC2CCCC(Cn3ccnc3)O2)cc1.
What is the InChIKey of 1-[(6-phenoxyoxan-2-yl)methyl]imidazole?
The InChIKey is QMWNOAAXZXQNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-5-13(6-3-1)18-15-8-4-7-14(19-15)11-17-10-9-16-12-17/h1-3,5-6,9-10,12,14-15H,4,7-8,11H2.
What are the key properties of 1-[(6-phenoxyoxan-2-yl)methyl]imidazole?
1-[(6-phenoxyoxan-2-yl)methyl]imidazole has a molecular weight of 258.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-phenoxyoxan-2-yl)methyl]imidazole is sourced from PubChem (CID 13073919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).