2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine

C16H21N3O2 — CID 114717817

IUPAC2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
SMILESCC(C)Oc1ccc(-n2cncc2C2CNCCO2)cc1
InChIInChI=1S/C16H21N3O2/c1-12(2)21-14-5-3-13(4-6-14)19-11-18-9-15(19)16-10-17-7-8-20-16/h3-6,9,11-12,16-17H,7-8,10H2,1-2H3
InChIKeyRFDOORVESXGFHO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.32
Rot. Bonds4

About 2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine

2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine (PubChem CID 114717817) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
PubChem CID114717817
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
SMILESCC(C)Oc1ccc(-n2cncc2C2CNCCO2)cc1
InChIInChI=1S/C16H21N3O2/c1-12(2)21-14-5-3-13(4-6-14)19-11-18-9-15(19)16-10-17-7-8-20-16/h3-6,9,11-12,16-17H,7-8,10H2,1-2H3
InChIKeyRFDOORVESXGFHO-UHFFFAOYSA-N
XLogP2.32
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
CID 114704028
2-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]morpholine
CID 114716528
2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]morpholine
CID 114716609
2-(3-pyridin-3-ylimidazol-4-yl)morpholine
CID 114717439
2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721648
2-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721626
1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704020
2-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]morpholine
CID 114721560
2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]morpholine
CID 114717769
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434
2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine
CID 114716077

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine (CID 114717817) is 2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine is CC(C)Oc1ccc(-n2cncc2C2CNCCO2)cc1.
What is the InChIKey of 2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine?
The InChIKey is RFDOORVESXGFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(2)21-14-5-3-13(4-6-14)19-11-18-9-15(19)16-10-17-7-8-20-16/h3-6,9,11-12,16-17H,7-8,10H2,1-2H3.
What are the key properties of 2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine?
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine has a molecular weight of 287.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114717817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).