1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one

C24H22N4O2 — CID 171153478

IUPAC1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1ncc[nH]1)N1CCC2(C1)C(=O)N(CC=Cc1ccccc1)c1ccccc12
InChIInChI=1S/C24H22N4O2/c29-22(21-25-13-14-26-21)27-16-12-24(17-27)19-10-4-5-11-20(19)28(23(24)30)15-6-9-18-7-2-1-3-8-18/h1-11,13-14H,12,15-17H2,(H,25,26)
InChIKeyYZLMVRDDBJQPLD-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.25
Rot. Bonds4

About 1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one

1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 171153478) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID171153478
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1ncc[nH]1)N1CCC2(C1)C(=O)N(CC=Cc1ccccc1)c1ccccc12
InChIInChI=1S/C24H22N4O2/c29-22(21-25-13-14-26-21)27-16-12-24(17-27)19-10-4-5-11-20(19)28(23(24)30)15-6-9-18-7-2-1-3-8-18/h1-11,13-14H,12,15-17H2,(H,25,26)
InChIKeyYZLMVRDDBJQPLD-UHFFFAOYSA-N
XLogP3.25
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one 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'-(6-oxo-1H-pyrimidin-4-yl)-1-[(E)-3-phenylprop-2-enyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 157014506
1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157016297
2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96581096
2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70717778
1'-(4-chlorobenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134788843
(3S)-3-hydroxy-3-phenacyl-1-[(Z)-3-phenylprop-2-enyl]indol-2-one
CID 98392744
1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157015900
1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157018992
2-[1'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70782211
2-[(3R)-2-oxo-1'-(3-pyridin-4-ylpropanoyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96575863
1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134795624
2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70733083

Frequently Asked Questions

What is the IUPAC name of 1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 171153478) is 1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one is O=C(c1ncc[nH]1)N1CCC2(C1)C(=O)N(CC=Cc1ccccc1)c1ccccc12.
What is the InChIKey of 1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is YZLMVRDDBJQPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-22(21-25-13-14-26-21)27-16-12-24(17-27)19-10-4-5-11-20(19)28(23(24)30)15-6-9-18-7-2-1-3-8-18/h1-11,13-14H,12,15-17H2,(H,25,26).
What are the key properties of 1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 398.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1H-imidazole-2-carbonyl)-1-(3-phenylprop-2-enyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 171153478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).