4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one

C14H17N3O2 — CID 11345966

IUPAC4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one
SMILESCC1N=C(N2CCOCC2)N(c2ccccc2)C1=O
InChIInChI=1S/C14H17N3O2/c1-11-13(18)17(12-5-3-2-4-6-12)14(15-11)16-7-9-19-10-8-16/h2-6,11H,7-10H2,1H3
InChIKeyKMAULOFNCIIZMY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.11
Rot. Bonds1

About 4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one

4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one (PubChem CID 11345966) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one
PubChem CID11345966
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one
SMILESCC1N=C(N2CCOCC2)N(c2ccccc2)C1=O
InChIInChI=1S/C14H17N3O2/c1-11-13(18)17(12-5-3-2-4-6-12)14(15-11)16-7-9-19-10-8-16/h2-6,11H,7-10H2,1H3
InChIKeyKMAULOFNCIIZMY-UHFFFAOYSA-N
XLogP1.11
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one?
The IUPAC name of 4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one (CID 11345966) is 4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one is CC1N=C(N2CCOCC2)N(c2ccccc2)C1=O.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one?
The InChIKey is KMAULOFNCIIZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-13(18)17(12-5-3-2-4-6-12)14(15-11)16-7-9-19-10-8-16/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one?
4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one has a molecular weight of 259.31 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-1-phenyl-4H-imidazol-5-one is sourced from PubChem (CID 11345966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).