4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine

C21H24N4O — CID 72706472

IUPAC4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine
SMILESCn1cc(-c2ccccc2)nc1CCc1cccc(N2CCOCC2)n1
InChIInChI=1S/C21H24N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-9,16H,10-15H2,1H3
InChIKeyIQILWHMMLIKZTR-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.10
Rot. Bonds5

About 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine

4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine (PubChem CID 72706472) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine
PubChem CID72706472
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine
SMILESCn1cc(-c2ccccc2)nc1CCc1cccc(N2CCOCC2)n1
InChIInChI=1S/C21H24N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-9,16H,10-15H2,1H3
InChIKeyIQILWHMMLIKZTR-UHFFFAOYSA-N
XLogP3.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine (CID 72706472) is 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine is Cn1cc(-c2ccccc2)nc1CCc1cccc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine?
The InChIKey is IQILWHMMLIKZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-9,16H,10-15H2,1H3.
What are the key properties of 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine?
4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine has a molecular weight of 348.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 72706472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).