3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine

C14H16ClN3O — CID 78151272

IUPAC3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine
SMILESCN1CCOCC1c1ncc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C14H16ClN3O/c1-18-5-6-19-9-13(18)14-16-8-12(17-14)10-3-2-4-11(15)7-10/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17)
InChIKeyVBWJOUGXJSOSCY-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.73
Rot. Bonds2

About 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine

3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine (PubChem CID 78151272) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine
PubChem CID78151272
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine
SMILESCN1CCOCC1c1ncc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C14H16ClN3O/c1-18-5-6-19-9-13(18)14-16-8-12(17-14)10-3-2-4-11(15)7-10/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17)
InChIKeyVBWJOUGXJSOSCY-UHFFFAOYSA-N
XLogP2.73
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine?
The IUPAC name of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine (CID 78151272) is 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine.
What is the SMILES notation for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine?
The canonical SMILES for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine is CN1CCOCC1c1ncc(-c2cccc(Cl)c2)[nH]1.
What is the InChIKey of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine?
The InChIKey is VBWJOUGXJSOSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18-5-6-19-9-13(18)14-16-8-12(17-14)10-3-2-4-11(15)7-10/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17).
What are the key properties of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine?
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine has a molecular weight of 277.75 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine is sourced from PubChem (CID 78151272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).