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

C20H19ClFN3O — CID 75367181

IUPAC(3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine
SMILESFc1cccc(-c2cnc([C@@H]3COCCN3Cc3ccc(Cl)cc3)[nH]2)c1
InChIInChI=1S/C20H19ClFN3O/c21-16-6-4-14(5-7-16)12-25-8-9-26-13-19(25)20-23-11-18(24-20)15-2-1-3-17(22)10-15/h1-7,10-11,19H,8-9,12-13H2,(H,23,24)/t19-/m0/s1
InChIKeyKPVXGTPODFCGFP-IBGZPJMESA-N
MW371.84 g/mol
LogP4.44
Rot. Bonds4

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

(3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine (PubChem CID 75367181) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is (3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine
PubChem CID75367181
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name(3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine
SMILESFc1cccc(-c2cnc([C@@H]3COCCN3Cc3ccc(Cl)cc3)[nH]2)c1
InChIInChI=1S/C20H19ClFN3O/c21-16-6-4-14(5-7-16)12-25-8-9-26-13-19(25)20-23-11-18(24-20)15-2-1-3-17(22)10-15/h1-7,10-11,19H,8-9,12-13H2,(H,23,24)/t19-/m0/s1
InChIKeyKPVXGTPODFCGFP-IBGZPJMESA-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 (3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of (3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine (CID 75367181) is (3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for (3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for (3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine is Fc1cccc(-c2cnc([C@@H]3COCCN3Cc3ccc(Cl)cc3)[nH]2)c1.
What is the InChIKey of (3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine?
The InChIKey is KPVXGTPODFCGFP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19ClFN3O/c21-16-6-4-14(5-7-16)12-25-8-9-26-13-19(25)20-23-11-18(24-20)15-2-1-3-17(22)10-15/h1-7,10-11,19H,8-9,12-13H2,(H,23,24)/t19-/m0/s1.
What are the key properties of (3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine?
(3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]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 (3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 75367181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).