2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine

C15H21N3OS — CID 114718480

IUPAC2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine
SMILESCc1cc(C(C)n2cncc2C2CNCCO2)c(C)s1
InChIInChI=1S/C15H21N3OS/c1-10-6-13(12(3)20-10)11(2)18-9-17-7-14(18)15-8-16-4-5-19-15/h6-7,9,11,15-16H,4-5,8H2,1-3H3
InChIKeyVOEGRGWWUATVDY-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.83
Rot. Bonds3

About 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine

2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine (PubChem CID 114718480) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine
PubChem CID114718480
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine
SMILESCc1cc(C(C)n2cncc2C2CNCCO2)c(C)s1
InChIInChI=1S/C15H21N3OS/c1-10-6-13(12(3)20-10)11(2)18-9-17-7-14(18)15-8-16-4-5-19-15/h6-7,9,11,15-16H,4-5,8H2,1-3H3
InChIKeyVOEGRGWWUATVDY-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine
CID 114716077
2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine
CID 114719268
2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114704559
2-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]morpholine
CID 114717855
2-(3-pentan-3-ylimidazol-4-yl)morpholine
CID 114717268
2-(3-heptan-2-ylimidazol-4-yl)morpholine
CID 114719560
4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
CID 114718487
(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942416
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine (CID 114718480) is 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine is Cc1cc(C(C)n2cncc2C2CNCCO2)c(C)s1.
What is the InChIKey of 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine?
The InChIKey is VOEGRGWWUATVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-6-13(12(3)20-10)11(2)18-9-17-7-14(18)15-8-16-4-5-19-15/h6-7,9,11,15-16H,4-5,8H2,1-3H3.
What are the key properties of 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine?
2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine has a molecular weight of 291.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine is sourced from PubChem (CID 114718480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).