3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine

C20H19ClFN3O — CID 162916385

IUPAC3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
SMILESFc1ccccc1CN1CCOCC1c1ncc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C20H19ClFN3O/c21-16-6-3-5-14(10-16)18-11-23-20(24-18)19-13-26-9-8-25(19)12-15-4-1-2-7-17(15)22/h1-7,10-11,19H,8-9,12-13H2,(H,23,24)
InChIKeyHLRYEKPLZINSOE-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.44
Rot. Bonds4

About 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine

3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine (PubChem CID 162916385) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
PubChem CID162916385
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
SMILESFc1ccccc1CN1CCOCC1c1ncc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C20H19ClFN3O/c21-16-6-3-5-14(10-16)18-11-23-20(24-18)19-13-26-9-8-25(19)12-15-4-1-2-7-17(15)22/h1-7,10-11,19H,8-9,12-13H2,(H,23,24)
InChIKeyHLRYEKPLZINSOE-UHFFFAOYSA-N
XLogP4.44
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine?
The IUPAC name of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine (CID 162916385) is 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine?
The canonical SMILES for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine is Fc1ccccc1CN1CCOCC1c1ncc(-c2cccc(Cl)c2)[nH]1.
What is the InChIKey of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine?
The InChIKey is HLRYEKPLZINSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c21-16-6-3-5-14(10-16)18-11-23-20(24-18)19-13-26-9-8-25(19)12-15-4-1-2-7-17(15)22/h1-7,10-11,19H,8-9,12-13H2,(H,23,24).
What are the key properties of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine?
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine has a molecular weight of 371.84 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 162916385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).