2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine

C16H21N3O — CID 114719268

IUPAC2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine
SMILESCc1ccc(C(C)n2cncc2C2CNCCO2)cc1
InChIInChI=1S/C16H21N3O/c1-12-3-5-14(6-4-12)13(2)19-11-18-9-15(19)16-10-17-7-8-20-16/h3-6,9,11,13,16-17H,7-8,10H2,1-2H3
InChIKeyWLLKAJDQKLWOPY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.46
Rot. Bonds3

About 2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine

2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine (PubChem CID 114719268) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine
PubChem CID114719268
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine
SMILESCc1ccc(C(C)n2cncc2C2CNCCO2)cc1
InChIInChI=1S/C16H21N3O/c1-12-3-5-14(6-4-12)13(2)19-11-18-9-15(19)16-10-17-7-8-20-16/h3-6,9,11,13,16-17H,7-8,10H2,1-2H3
InChIKeyWLLKAJDQKLWOPY-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine
CID 114717855
2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine
CID 114716077
2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine
CID 114718480
2-(3-pentan-3-ylimidazol-4-yl)morpholine
CID 114717268
2-(3-heptan-2-ylimidazol-4-yl)morpholine
CID 114719560
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
CID 114717817
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434
3-methyl-4-(5-morpholin-2-ylimidazol-1-yl)phenol
CID 114720892
2-[3-(3-methylpentan-3-yl)imidazol-4-yl]morpholine
CID 106329949
2-(3-pyridin-3-ylimidazol-4-yl)morpholine
CID 114717439

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine (CID 114719268) is 2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine is Cc1ccc(C(C)n2cncc2C2CNCCO2)cc1.
What is the InChIKey of 2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine?
The InChIKey is WLLKAJDQKLWOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-3-5-14(6-4-12)13(2)19-11-18-9-15(19)16-10-17-7-8-20-16/h3-6,9,11,13,16-17H,7-8,10H2,1-2H3.
What are the key properties of 2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine?
2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine has a molecular weight of 271.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine is sourced from PubChem (CID 114719268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).