2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate

C19H27N3O3 — CID 166009273

IUPAC2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate
SMILESCc1cc(C)c(N2C=CN(CCOC(=O)N3CCOCC3)C2)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-15-12-16(2)18(17(3)13-15)22-5-4-20(14-22)6-11-25-19(23)21-7-9-24-10-8-21/h4-5,12-13H,6-11,14H2,1-3H3
InChIKeyGBKUYZAHUDUAFL-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.63
Rot. Bonds4

About 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate

2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate (PubChem CID 166009273) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate.

Molecular Properties

Compound Name2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate
PubChem CID166009273
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate
SMILESCc1cc(C)c(N2C=CN(CCOC(=O)N3CCOCC3)C2)c(C)c1
InChIInChI=1S/C19H27N3O3/c1-15-12-16(2)18(17(3)13-15)22-5-4-20(14-22)6-11-25-19(23)21-7-9-24-10-8-21/h4-5,12-13H,6-11,14H2,1-3H3
InChIKeyGBKUYZAHUDUAFL-UHFFFAOYSA-N
XLogP2.63
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate?
The IUPAC name of 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate (CID 166009273) is 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate.
What is the SMILES notation for 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate?
The canonical SMILES for 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate is Cc1cc(C)c(N2C=CN(CCOC(=O)N3CCOCC3)C2)c(C)c1.
What is the InChIKey of 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate?
The InChIKey is GBKUYZAHUDUAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15-12-16(2)18(17(3)13-15)22-5-4-20(14-22)6-11-25-19(23)21-7-9-24-10-8-21/h4-5,12-13H,6-11,14H2,1-3H3.
What are the key properties of 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate?
2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]ethyl morpholine-4-carboxylate is sourced from PubChem (CID 166009273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).