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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Related Compounds

3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 162916385
(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine
CID 75529629
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 78151281
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine
CID 56775856
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine
CID 56775858
4-(cyclopropylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
CID 78151247
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
CID 75536200
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline
CID 78151248
2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151252
N-[4-[[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenyl]acetamide
CID 78151226
(3R)-4-(1H-imidazol-5-ylmethyl)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholine
CID 71694244

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).