(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one

C17H19N3O2 — CID 110105388

IUPAC(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
SMILESCc1cnc(C2COCCN2C(=O)/C=C/c2ccccc2)[nH]1
InChIInChI=1S/C17H19N3O2/c1-13-11-18-17(19-13)15-12-22-10-9-20(15)16(21)8-7-14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3,(H,18,19)/b8-7+
InChIKeyAVBKZKHHOIOEFP-BQYQJAHWSA-N
MW297.36 g/mol
LogP2.33
Rot. Bonds3

About (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one

(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one (PubChem CID 110105388) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
PubChem CID110105388
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
SMILESCc1cnc(C2COCCN2C(=O)/C=C/c2ccccc2)[nH]1
InChIInChI=1S/C17H19N3O2/c1-13-11-18-17(19-13)15-12-22-10-9-20(15)16(21)8-7-14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3,(H,18,19)/b8-7+
InChIKeyAVBKZKHHOIOEFP-BQYQJAHWSA-N
XLogP2.33
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 124946055
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124958382
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 110105482
2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105469
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 124995719
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 110105457
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105409
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 124996414
(2-methyl-3H-benzimidazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124959074

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one (CID 110105388) is (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one is Cc1cnc(C2COCCN2C(=O)/C=C/c2ccccc2)[nH]1.
What is the InChIKey of (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one?
The InChIKey is AVBKZKHHOIOEFP-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-11-18-17(19-13)15-12-22-10-9-20(15)16(21)8-7-14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3,(H,18,19)/b8-7+.
What are the key properties of (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one?
(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one has a molecular weight of 297.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 110105388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).