4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine

C19H25N3O2 — CID 3007534

IUPAC4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine
SMILESCCC(C)Oc1ccccc1/C(=C\N1CCOCC1)n1ccnc1
InChIInChI=1S/C19H25N3O2/c1-3-16(2)24-19-7-5-4-6-17(19)18(22-9-8-20-15-22)14-21-10-12-23-13-11-21/h4-9,14-16H,3,10-13H2,1-2H3/b18-14+
InChIKeyOHCDKTPEODCCSW-NBVRZTHBSA-N
MW327.43 g/mol
LogP3.24
Rot. Bonds6

About 4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine

4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine (PubChem CID 3007534) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine
PubChem CID3007534
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine
SMILESCCC(C)Oc1ccccc1/C(=C\N1CCOCC1)n1ccnc1
InChIInChI=1S/C19H25N3O2/c1-3-16(2)24-19-7-5-4-6-17(19)18(22-9-8-20-15-22)14-21-10-12-23-13-11-21/h4-9,14-16H,3,10-13H2,1-2H3/b18-14+
InChIKeyOHCDKTPEODCCSW-NBVRZTHBSA-N
XLogP3.24
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine?
The IUPAC name of 4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine (CID 3007534) is 4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine.
What is the SMILES notation for 4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine?
The canonical SMILES for 4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine is CCC(C)Oc1ccccc1/C(=C\N1CCOCC1)n1ccnc1.
What is the InChIKey of 4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine?
The InChIKey is OHCDKTPEODCCSW-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-16(2)24-19-7-5-4-6-17(19)18(22-9-8-20-15-22)14-21-10-12-23-13-11-21/h4-9,14-16H,3,10-13H2,1-2H3/b18-14+.
What are the key properties of 4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine?
4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine has a molecular weight of 327.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-butan-2-yloxyphenyl)-2-imidazol-1-ylethenyl]morpholine is sourced from PubChem (CID 3007534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).