2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine

C16H19Cl2N3O — CID 56880923

IUPAC2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine
SMILESClc1ccc(C2CN(CCCn3ccnc3)CCO2)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c17-14-3-2-13(10-15(14)18)16-11-20(8-9-22-16)5-1-6-21-7-4-19-12-21/h2-4,7,10,12,16H,1,5-6,8-9,11H2
InChIKeyMTFISSZFZCEBIA-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.65
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine

2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine (PubChem CID 56880923) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine
PubChem CID56880923
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine
SMILESClc1ccc(C2CN(CCCn3ccnc3)CCO2)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c17-14-3-2-13(10-15(14)18)16-11-20(8-9-22-16)5-1-6-21-7-4-19-12-21/h2-4,7,10,12,16H,1,5-6,8-9,11H2
InChIKeyMTFISSZFZCEBIA-UHFFFAOYSA-N
XLogP3.65
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174623
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 95174624
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875
5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982
2-(bromomethyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 81213787
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119931332
N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide
CID 95175762
1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole
CID 75483244
2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 56879666

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine (CID 56880923) is 2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine is Clc1ccc(C2CN(CCCn3ccnc3)CCO2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine?
The InChIKey is MTFISSZFZCEBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c17-14-3-2-13(10-15(14)18)16-11-20(8-9-22-16)5-1-6-21-7-4-19-12-21/h2-4,7,10,12,16H,1,5-6,8-9,11H2.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine?
2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine has a molecular weight of 340.25 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine is sourced from PubChem (CID 56880923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).