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

C21H19FN4O — CID 56776007

IUPAC3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCOC[C@H]2c2ncc(-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C21H19FN4O/c22-18-6-4-17(5-7-18)19-12-24-21(25-19)20-14-27-9-8-26(20)13-16-3-1-2-15(10-16)11-23/h1-7,10,12,20H,8-9,13-14H2,(H,24,25)/t20-/m0/s1
InChIKeyUKFXYJRFSPVZIO-FQEVSTJZSA-N
MW362.41 g/mol
LogP3.66
Rot. Bonds4

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

3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile (PubChem CID 56776007) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile
PubChem CID56776007
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCOC[C@H]2c2ncc(-c3ccc(F)cc3)[nH]2)c1
InChIInChI=1S/C21H19FN4O/c22-18-6-4-17(5-7-18)19-12-24-21(25-19)20-14-27-9-8-26(20)13-16-3-1-2-15(10-16)11-23/h1-7,10,12,20H,8-9,13-14H2,(H,24,25)/t20-/m0/s1
InChIKeyUKFXYJRFSPVZIO-FQEVSTJZSA-N
XLogP3.66
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile (CID 56776007) is 3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile is N#Cc1cccc(CN2CCOC[C@H]2c2ncc(-c3ccc(F)cc3)[nH]2)c1.
What is the InChIKey of 3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile?
The InChIKey is UKFXYJRFSPVZIO-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-18-6-4-17(5-7-18)19-12-24-21(25-19)20-14-27-9-8-26(20)13-16-3-1-2-15(10-16)11-23/h1-7,10,12,20H,8-9,13-14H2,(H,24,25)/t20-/m0/s1.
What are the key properties of 3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile?
3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile has a molecular weight of 362.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 56776007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).