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

C21H20N4O — CID 56775928

IUPAC3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCOC[C@H]2c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C21H20N4O/c22-12-16-5-4-6-17(11-16)14-25-9-10-26-15-20(25)21-23-13-19(24-21)18-7-2-1-3-8-18/h1-8,11,13,20H,9-10,14-15H2,(H,23,24)/t20-/m0/s1
InChIKeyKKIQGKREXNLMAT-FQEVSTJZSA-N
MW344.42 g/mol
LogP3.52
Rot. Bonds4

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

3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile (PubChem CID 56775928) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile
PubChem CID56775928
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCOC[C@H]2c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C21H20N4O/c22-12-16-5-4-6-17(11-16)14-25-9-10-26-15-20(25)21-23-13-19(24-21)18-7-2-1-3-8-18/h1-8,11,13,20H,9-10,14-15H2,(H,23,24)/t20-/m0/s1
InChIKeyKKIQGKREXNLMAT-FQEVSTJZSA-N
XLogP3.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.52
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-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile (CID 56775928) is 3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile is N#Cc1cccc(CN2CCOC[C@H]2c2ncc(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile?
The InChIKey is KKIQGKREXNLMAT-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N4O/c22-12-16-5-4-6-17(11-16)14-25-9-10-26-15-20(25)21-23-13-19(24-21)18-7-2-1-3-8-18/h1-8,11,13,20H,9-10,14-15H2,(H,23,24)/t20-/m0/s1.
What are the key properties of 3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile?
3-[[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile has a molecular weight of 344.42 g/mol, XLogP of 3.52, 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-phenyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 56775928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).