2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine

C15H19N3O — CID 116881026

IUPAC2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCc1ccc(-c2cnc(C3CNCCO3)[nH]2)cc1C
InChIInChI=1S/C15H19N3O/c1-10-3-4-12(7-11(10)2)13-8-17-15(18-13)14-9-16-5-6-19-14/h3-4,7-8,14,16H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyUBEUPUAMDYKYDL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.35
Rot. Bonds2

About 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine

2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine (PubChem CID 116881026) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine
PubChem CID116881026
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCc1ccc(-c2cnc(C3CNCCO3)[nH]2)cc1C
InChIInChI=1S/C15H19N3O/c1-10-3-4-12(7-11(10)2)13-8-17-15(18-13)14-9-16-5-6-19-14/h3-4,7-8,14,16H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyUBEUPUAMDYKYDL-UHFFFAOYSA-N
XLogP2.35
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-methylphenyl)-1H-imidazol-2-yl]morpholine
CID 116881044
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]morpholine
CID 116881035
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]morpholine
CID 116881036
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine
CID 116881037
2-(5-cyclobutyl-1H-imidazol-2-yl)morpholine
CID 105460682
2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine
CID 79796200
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
CID 95474427
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
CID 82296070
2-(4-methylpyrimidin-2-yl)morpholine
CID 116901757
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine (CID 116881026) is 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine is Cc1ccc(-c2cnc(C3CNCCO3)[nH]2)cc1C.
What is the InChIKey of 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine?
The InChIKey is UBEUPUAMDYKYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-3-4-12(7-11(10)2)13-8-17-15(18-13)14-9-16-5-6-19-14/h3-4,7-8,14,16H,5-6,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine?
2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine has a molecular weight of 257.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 116881026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).