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

C19H14FN3O — CID 123855462

IUPAC3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile
SMILESN#Cc1ccc(C2CC(O)(c3ccccc3)c3cncn32)c(F)c1
InChIInChI=1S/C19H14FN3O/c20-16-8-13(10-21)6-7-15(16)17-9-19(24,14-4-2-1-3-5-14)18-11-22-12-23(17)18/h1-8,11-12,17,24H,9H2
InChIKeyIQZHRYIPYGSTKS-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.12
Rot. Bonds2

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

3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile (PubChem CID 123855462) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile
PubChem CID123855462
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile
SMILESN#Cc1ccc(C2CC(O)(c3ccccc3)c3cncn32)c(F)c1
InChIInChI=1S/C19H14FN3O/c20-16-8-13(10-21)6-7-15(16)17-9-19(24,14-4-2-1-3-5-14)18-11-22-12-23(17)18/h1-8,11-12,17,24H,9H2
InChIKeyIQZHRYIPYGSTKS-UHFFFAOYSA-N
XLogP3.12
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5R,7S)-7-(3-chlorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile
CID 89432459
3-fluoro-4-[(5R,7S)-7-hydroxy-7-(3-hydroxyphenyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 67216681
3-fluoro-4-[(5R,7S)-7-[3-(3-fluorophenyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 89432575
3-fluoro-4-[7-hydroxy-7-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 123212476
3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 123423836
3-fluoro-4-[(5R,7S)-7-hydroxy-7-pyridin-2-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 89432525
4-[(5R,7S)-7-[3-(1,1-difluoroethyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile
CID 89432514
3-fluoro-4-[(5R,7S)-7-hydroxy-7-[3-[3-(trifluoromethyl)phenyl]phenyl]-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 89432519
3-fluoro-4-[7-hydroxy-7-(2-phenylethyl)-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 75965748
2-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]acetic acid;2-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-(4-fluorophenyl)acetamide
CID 159076714
4-[(5R,8R)-8-hydroxy-8-(4-phenylphenyl)-6,7-dihydro-5H-imidazo[1,5-a]pyridin-5-yl]benzonitrile
CID 89432516
2-[(5R,7S)-5-(4-cyano-2-fluorophenyl)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 89434593

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile?
The IUPAC name of 3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile (CID 123855462) is 3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile?
The canonical SMILES for 3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile is N#Cc1ccc(C2CC(O)(c3ccccc3)c3cncn32)c(F)c1.
What is the InChIKey of 3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile?
The InChIKey is IQZHRYIPYGSTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-16-8-13(10-21)6-7-15(16)17-9-19(24,14-4-2-1-3-5-14)18-11-22-12-23(17)18/h1-8,11-12,17,24H,9H2.
What are the key properties of 3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile?
3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile has a molecular weight of 319.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(7-hydroxy-7-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile is sourced from PubChem (CID 123855462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).