1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one

C22H20F2N4O — CID 157019197

IUPAC1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C1N(Cc2cc(F)cc(F)c2)c2ccccc2C12CCN(Cc1cnc[nH]1)C2
InChIInChI=1S/C22H20F2N4O/c23-16-7-15(8-17(24)9-16)11-28-20-4-2-1-3-19(20)22(21(28)29)5-6-27(13-22)12-18-10-25-14-26-18/h1-4,7-10,14H,5-6,11-13H2,(H,25,26)
InChIKeyWFPYVJBNRAICFC-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.38
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one

1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 157019197) has the molecular formula C22H20F2N4O and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID157019197
Molecular FormulaC22H20F2N4O
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C1N(Cc2cc(F)cc(F)c2)c2ccccc2C12CCN(Cc1cnc[nH]1)C2
InChIInChI=1S/C22H20F2N4O/c23-16-7-15(8-17(24)9-16)11-28-20-4-2-1-3-19(20)22(21(28)29)5-6-27(13-22)12-18-10-25-14-26-18/h1-4,7-10,14H,5-6,11-13H2,(H,25,26)
InChIKeyWFPYVJBNRAICFC-UHFFFAOYSA-N
XLogP3.38
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95719767
1-(cyclopropylmethyl)-1'-(pyridin-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 131659559
1'-[(4-fluorophenyl)methyl]-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375647
1'-(2,2-difluoroethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 71570921
2-[(3S)-1'-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95713205
1-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 131657552
1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157016297
2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95712349
2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95717579
1-benzyl-1'-(furan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375659
(3R)-1-(cyclopropylmethyl)-1'-(furan-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 97415648
(4S)-7-(1H-imidazol-5-ylmethyl)-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 97397720

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 157019197) is 1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is O=C1N(Cc2cc(F)cc(F)c2)c2ccccc2C12CCN(Cc1cnc[nH]1)C2.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is WFPYVJBNRAICFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O/c23-16-7-15(8-17(24)9-16)11-28-20-4-2-1-3-19(20)22(21(28)29)5-6-27(13-22)12-18-10-25-14-26-18/h1-4,7-10,14H,5-6,11-13H2,(H,25,26).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 394.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-1'-(1H-imidazol-5-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 157019197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).