1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one

C16H18ClN3O2 — CID 146131766

IUPAC1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one
SMILESO=C(CCc1cnc[nH]1)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H18ClN3O2/c17-13-3-1-2-12(8-13)15-10-20(6-7-22-15)16(21)5-4-14-9-18-11-19-14/h1-3,8-9,11,15H,4-7,10H2,(H,18,19)
InChIKeyIHFMXSGTWAOVNR-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.60
Rot. Bonds4

About 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one

1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one (PubChem CID 146131766) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one
PubChem CID146131766
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one
SMILESO=C(CCc1cnc[nH]1)N1CCOC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H18ClN3O2/c17-13-3-1-2-12(8-13)15-10-20(6-7-22-15)16(21)5-4-14-9-18-11-19-14/h1-3,8-9,11,15H,4-7,10H2,(H,18,19)
InChIKeyIHFMXSGTWAOVNR-UHFFFAOYSA-N
XLogP2.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
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N-[3-[2-(3-chlorophenyl)morpholin-4-yl]-3-oxopropyl]acetamide
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1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
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1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
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1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
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2-(3-chlorophenyl)-N-(5-methoxypyrimidin-4-yl)morpholine-4-carboxamide
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3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one?
The IUPAC name of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one (CID 146131766) is 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one is O=C(CCc1cnc[nH]1)N1CCOC(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one?
The InChIKey is IHFMXSGTWAOVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-13-3-1-2-12(8-13)15-10-20(6-7-22-15)16(21)5-4-14-9-18-11-19-14/h1-3,8-9,11,15H,4-7,10H2,(H,18,19).
What are the key properties of 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one?
1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one has a molecular weight of 319.79 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)propan-1-one is sourced from PubChem (CID 146131766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).