1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one

C16H17Cl2N3O2 — CID 95174624

IUPAC1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H17Cl2N3O2/c17-13-2-1-12(9-14(13)18)15-10-21(7-8-23-15)16(22)3-5-20-6-4-19-11-20/h1-2,4,6,9,11,15H,3,5,7-8,10H2/t15-/m1/s1
InChIKeyXSWINMLPMYSQCV-OAHLLOKOSA-N
MW354.24 g/mol
LogP3.18
Rot. Bonds4

About 1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one

1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 95174624) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID95174624
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H17Cl2N3O2/c17-13-2-1-12(9-14(13)18)15-10-21(7-8-23-15)16(22)3-5-20-6-4-19-11-20/h1-2,4,6,9,11,15H,3,5,7-8,10H2/t15-/m1/s1
InChIKeyXSWINMLPMYSQCV-OAHLLOKOSA-N
XLogP3.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-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

1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174623
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 56743980
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794
2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 56880923
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 95180594
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 81208109
4-[(2S)-4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166570
1-[(2R)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95309733
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124944928
3-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511815
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364311

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one (CID 95174624) is 1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is XSWINMLPMYSQCV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c17-13-2-1-12(9-14(13)18)15-10-21(7-8-23-15)16(22)3-5-20-6-4-19-11-20/h1-2,4,6,9,11,15H,3,5,7-8,10H2/t15-/m1/s1.
What are the key properties of 1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 354.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 95174624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).