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

C24H16F2N4O — CID 123423836

IUPAC3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
SMILESN#Cc1ccc(C2CC(O)(c3cccc(-c4cncc(F)c4)c3)c3cncn32)c(F)c1
InChIInChI=1S/C24H16F2N4O/c25-19-8-17(11-28-12-19)16-2-1-3-18(7-16)24(31)9-22(30-14-29-13-23(24)30)20-5-4-15(10-27)6-21(20)26/h1-8,11-14,22,31H,9H2
InChIKeyLCISMXBQMOUHMQ-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.32
Rot. Bonds3

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

3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile (PubChem CID 123423836) has the molecular formula C24H16F2N4O and a molecular weight of 414.42 g/mol. Its IUPAC name is 3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
PubChem CID123423836
Molecular FormulaC24H16F2N4O
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
SMILESN#Cc1ccc(C2CC(O)(c3cccc(-c4cncc(F)c4)c3)c3cncn32)c(F)c1
InChIInChI=1S/C24H16F2N4O/c25-19-8-17(11-28-12-19)16-2-1-3-18(7-16)24(31)9-22(30-14-29-13-23(24)30)20-5-4-15(10-27)6-21(20)26/h1-8,11-14,22,31H,9H2
InChIKeyLCISMXBQMOUHMQ-UHFFFAOYSA-N
XLogP4.32
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-phenyl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl)benzonitrile
CID 123855462
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
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
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-[7-hydroxy-7-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 123212476
3-fluoro-4-[(5R,7S)-7-hydroxy-7-pyridin-2-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 89432525
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
3-fluoro-4-[(5R)-7-oxo-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
CID 67216150

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The IUPAC name of 3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile (CID 123423836) is 3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile is N#Cc1ccc(C2CC(O)(c3cccc(-c4cncc(F)c4)c3)c3cncn32)c(F)c1.
What is the InChIKey of 3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The InChIKey is LCISMXBQMOUHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O/c25-19-8-17(11-28-12-19)16-2-1-3-18(7-16)24(31)9-22(30-14-29-13-23(24)30)20-5-4-15(10-27)6-21(20)26/h1-8,11-14,22,31H,9H2.
What are the key properties of 3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile has a molecular weight of 414.42 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[7-[3-(5-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile is sourced from PubChem (CID 123423836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).