1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole

C16H19ClN2O2 — CID 54148970

IUPAC1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole
SMILESClc1ccc(CO[C@@H]2CCC[C@H](Cn3ccnc3)O2)cc1
InChIInChI=1S/C16H19ClN2O2/c17-14-6-4-13(5-7-14)11-20-16-3-1-2-15(21-16)10-19-9-8-18-12-19/h4-9,12,15-16H,1-3,10-11H2/t15-,16+/m1/s1
InChIKeyOGJZPAMKWUGELB-CVEARBPZSA-N
MW306.79 g/mol
LogP3.65
Rot. Bonds5

About 1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole

1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole (PubChem CID 54148970) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole
PubChem CID54148970
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole
SMILESClc1ccc(CO[C@@H]2CCC[C@H](Cn3ccnc3)O2)cc1
InChIInChI=1S/C16H19ClN2O2/c17-14-6-4-13(5-7-14)11-20-16-3-1-2-15(21-16)10-19-9-8-18-12-19/h4-9,12,15-16H,1-3,10-11H2/t15-,16+/m1/s1
InChIKeyOGJZPAMKWUGELB-CVEARBPZSA-N
XLogP3.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-phenoxyoxan-2-yl)methyl]imidazole
CID 13073919
1-[2-(4-chlorophenyl)-2-[[(2R,6R)-6-[(2,4-dichlorophenyl)methoxy]oxan-2-yl]methoxy]ethyl]imidazole
CID 54383972
2-[(4-chlorophenyl)methoxy]oxolane
CID 102105550
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
CID 163211298
1-[2-(4-chlorophenyl)-2-[(2R,6R)-6-[(2,4-dichlorophenoxy)methyl]oxan-2-yl]oxyethyl]imidazole
CID 54143206
cis-(1R,2R)-1-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 67648052
(Z)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 88721100
1-[1-chloro-2-[6-[(4-chlorophenoxy)methyl]oxan-2-yl]oxy-2-(4-chlorophenyl)ethyl]imidazole
CID 70484994
1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
1-[(5-methyloxolan-2-yl)methyl]imidazole
CID 103140191
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
2-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 18914346

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole (CID 54148970) is 1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole is Clc1ccc(CO[C@@H]2CCC[C@H](Cn3ccnc3)O2)cc1.
What is the InChIKey of 1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole?
The InChIKey is OGJZPAMKWUGELB-CVEARBPZSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-14-6-4-13(5-7-14)11-20-16-3-1-2-15(21-16)10-19-9-8-18-12-19/h4-9,12,15-16H,1-3,10-11H2/t15-,16+/m1/s1.
What are the key properties of 1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole?
1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole has a molecular weight of 306.79 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,6S)-6-[(4-chlorophenyl)methoxy]oxan-2-yl]methyl]imidazole is sourced from PubChem (CID 54148970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).