4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine

C15H23N5O — CID 56875881

IUPAC4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine
SMILESCCc1nc(-c2nccn2CCN2CCOCC2)c(C)[nH]1
InChIInChI=1S/C15H23N5O/c1-3-13-17-12(2)14(18-13)15-16-4-5-20(15)7-6-19-8-10-21-11-9-19/h4-5H,3,6-11H2,1-2H3,(H,17,18)
InChIKeyPSUMFAGJOHIDDT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.48
Rot. Bonds5

About 4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine

4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine (PubChem CID 56875881) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine
PubChem CID56875881
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine
SMILESCCc1nc(-c2nccn2CCN2CCOCC2)c(C)[nH]1
InChIInChI=1S/C15H23N5O/c1-3-13-17-12(2)14(18-13)15-16-4-5-20(15)7-6-19-8-10-21-11-9-19/h4-5H,3,6-11H2,1-2H3,(H,17,18)
InChIKeyPSUMFAGJOHIDDT-UHFFFAOYSA-N
XLogP1.48
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine (CID 56875881) is 4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine is CCc1nc(-c2nccn2CCN2CCOCC2)c(C)[nH]1.
What is the InChIKey of 4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine?
The InChIKey is PSUMFAGJOHIDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-13-17-12(2)14(18-13)15-16-4-5-20(15)7-6-19-8-10-21-11-9-19/h4-5H,3,6-11H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine?
4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine has a molecular weight of 289.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-ethyl-5-methyl-1H-imidazol-4-yl)imidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 56875881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).