3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile

C22H20FN3O — CID 89432497

IUPAC3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
SMILESCC(C)c1ccc([C@@]2(O)C[C@H](c3ccc(C#N)cc3F)n3cncc32)cc1
InChIInChI=1S/C22H20FN3O/c1-14(2)16-4-6-17(7-5-16)22(27)10-20(26-13-25-12-21(22)26)18-8-3-15(11-24)9-19(18)23/h3-9,12-14,20,27H,10H2,1-2H3/t20-,22+/m1/s1
InChIKeyATVWWNBODZGLGJ-IRLDBZIGSA-N
MW361.42 g/mol
LogP4.25
Rot. Bonds3

About 3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile

3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile (PubChem CID 89432497) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
PubChem CID89432497
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
SMILESCC(C)c1ccc([C@@]2(O)C[C@H](c3ccc(C#N)cc3F)n3cncc32)cc1
InChIInChI=1S/C22H20FN3O/c1-14(2)16-4-6-17(7-5-16)22(27)10-20(26-13-25-12-21(22)26)18-8-3-15(11-24)9-19(18)23/h3-9,12-14,20,27H,10H2,1-2H3/t20-,22+/m1/s1
InChIKeyATVWWNBODZGLGJ-IRLDBZIGSA-N
XLogP4.25
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-cyanophenyl)-2-hydroxy-2-(1-methyl-1H-imidazol-5-yl)ethyl]-5-(naphthalen-1-yl)-1,2,3,6-tetrahydropyridine-4-carbonitrile
CID 9933908
4-[(4-Cyanophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-2-(2-methylphenyl)benzonitrile
CID 44274783
4-[3-(4-Cyanophenyl)-1-hydroxy-1-(3-methylimidazol-4-yl)prop-2-ynyl]-2-(2-methylphenyl)benzonitrile
CID 44274804
1-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-(1H-imidazol-4-yl)-2-methyl-1-propanol
CID 9883171
4-[1-Hydroxy-1-(3-methylimidazol-4-yl)-3-phenylprop-2-ynyl]-2-(2-methylphenyl)benzonitrile
CID 44274806
4-[1-Hydroxy-1-(3-methylimidazol-4-yl)-3-phenylpropyl]-2-(2-methylphenyl)benzonitrile
CID 44274825
4-((S)-1-((5aR,6S)-1-(4-fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-hydroxyethyl)benzonitrile
CID 45486456
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-phenylethanol
CID 70874868
1-(3-Benzyl-2-methylimidazol-4-yl)-1-(2-methylphenyl)ethanol
CID 304292
(4-methylphenyl)(1-methyl-2-propyl-1H-imidazol-5-yl)phenylmethanol
CID 3932949
(7S,8S)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 155551216
(1S,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-phenylpropan-1-ol
CID 155517551

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The IUPAC name of 3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile (CID 89432497) is 3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile is CC(C)c1ccc([C@@]2(O)C[C@H](c3ccc(C#N)cc3F)n3cncc32)cc1.
What is the InChIKey of 3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The InChIKey is ATVWWNBODZGLGJ-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-14(2)16-4-6-17(7-5-16)22(27)10-20(26-13-25-12-21(22)26)18-8-3-15(11-24)9-19(18)23/h3-9,12-14,20,27H,10H2,1-2H3/t20-,22+/m1/s1.
What are the key properties of 3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile has a molecular weight of 361.42 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(5R,7S)-7-hydroxy-7-(4-propan-2-ylphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile is sourced from PubChem (CID 89432497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).