2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile

C17H19FN4O — CID 70292076

IUPAC2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2ncc(CCN3CCOCC3)[nH]2)cc1F
InChIInChI=1S/C17H19FN4O/c18-16-9-13(1-2-14(16)11-19)10-17-20-12-15(21-17)3-4-22-5-7-23-8-6-22/h1-2,9,12H,3-8,10H2,(H,20,21)
InChIKeyCGWWOZXPHJJMER-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.89
Rot. Bonds5

About 2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile

2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile (PubChem CID 70292076) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile
PubChem CID70292076
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2ncc(CCN3CCOCC3)[nH]2)cc1F
InChIInChI=1S/C17H19FN4O/c18-16-9-13(1-2-14(16)11-19)10-17-20-12-15(21-17)3-4-22-5-7-23-8-6-22/h1-2,9,12H,3-8,10H2,(H,20,21)
InChIKeyCGWWOZXPHJJMER-UHFFFAOYSA-N
XLogP1.89
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile
CID 66703677
2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethyl]benzonitrile
CID 163390174
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
2-fluoro-5-(1,4-oxazepan-4-ylmethyl)benzonitrile
CID 103758445
5-(4-fluorophenyl)-6-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1487690
2-fluoro-4-(2-morpholin-4-yl-2-oxoethoxy)benzonitrile
CID 78952730
4-[4-(2-aminopropan-2-yl)phenyl]-2-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]pyrimidine-5-carbonitrile
CID 161276899
2-fluoro-4-[[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]benzonitrile
CID 100670320
2-fluoro-4-(nitrosomethyl)benzonitrile
CID 123142497
6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile
CID 133317226
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 62742690
2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile
CID 106786936

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile (CID 70292076) is 2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile is N#Cc1ccc(Cc2ncc(CCN3CCOCC3)[nH]2)cc1F.
What is the InChIKey of 2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile?
The InChIKey is CGWWOZXPHJJMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-16-9-13(1-2-14(16)11-19)10-17-20-12-15(21-17)3-4-22-5-7-23-8-6-22/h1-2,9,12H,3-8,10H2,(H,20,21).
What are the key properties of 2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile?
2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile has a molecular weight of 314.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[5-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]methyl]benzonitrile is sourced from PubChem (CID 70292076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).