2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine

C13H17N3OS — CID 114717096

IUPAC2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine
SMILESc1csc(CCn2cncc2C2CNCCO2)c1
InChIInChI=1S/C13H17N3OS/c1-2-11(18-7-1)3-5-16-10-15-8-12(16)13-9-14-4-6-17-13/h1-2,7-8,10,13-14H,3-6,9H2
InChIKeyMIWGDTVHMONFDX-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.85
Rot. Bonds4

About 2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine

2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine (PubChem CID 114717096) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine
PubChem CID114717096
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine
SMILESc1csc(CCn2cncc2C2CNCCO2)c1
InChIInChI=1S/C13H17N3OS/c1-2-11(18-7-1)3-5-16-10-15-8-12(16)13-9-14-4-6-17-13/h1-2,7-8,10,13-14H,3-6,9H2
InChIKeyMIWGDTVHMONFDX-UHFFFAOYSA-N
XLogP1.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-but-3-ynylimidazol-4-yl)morpholine
CID 114720452
2-[3-(2-piperidin-1-ylethyl)imidazol-4-yl]morpholine
CID 114718670
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine
CID 114716555
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434
2-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]morpholine
CID 114958077
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine
CID 103466943
2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine
CID 114721231
N,N-diethyl-2-(5-morpholin-2-ylimidazol-1-yl)acetamide
CID 114721947
2-(3-pyridin-3-ylimidazol-4-yl)morpholine
CID 114717439
2-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]morpholine
CID 107165712
2-[3-[(3-methoxyphenyl)methyl]imidazol-4-yl]morpholine
CID 114718323

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine (CID 114717096) is 2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine is c1csc(CCn2cncc2C2CNCCO2)c1.
What is the InChIKey of 2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine?
The InChIKey is MIWGDTVHMONFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-11(18-7-1)3-5-16-10-15-8-12(16)13-9-14-4-6-17-13/h1-2,7-8,10,13-14H,3-6,9H2.
What are the key properties of 2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine?
2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine has a molecular weight of 263.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114717096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).