3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one

C24H24N4O3 — CID 166375690

IUPAC3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one
SMILESO=C1CCCN1CCC1CN(C(=O)c2cccc(-n3cc[nH]c3=O)c2)c2ccccc21
InChIInChI=1S/C24H24N4O3/c29-22-9-4-12-26(22)13-10-18-16-28(21-8-2-1-7-20(18)21)23(30)17-5-3-6-19(15-17)27-14-11-25-24(27)31/h1-3,5-8,11,14-15,18H,4,9-10,12-13,16H2,(H,25,31)
InChIKeyRICSTMLGPRWRDT-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.92
Rot. Bonds5

About 3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one

3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one (PubChem CID 166375690) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one
PubChem CID166375690
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one
SMILESO=C1CCCN1CCC1CN(C(=O)c2cccc(-n3cc[nH]c3=O)c2)c2ccccc21
InChIInChI=1S/C24H24N4O3/c29-22-9-4-12-26(22)13-10-18-16-28(21-8-2-1-7-20(18)21)23(30)17-5-3-6-19(15-17)27-14-11-25-24(27)31/h1-3,5-8,11,14-15,18H,4,9-10,12-13,16H2,(H,25,31)
InChIKeyRICSTMLGPRWRDT-UHFFFAOYSA-N
XLogP2.92
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96570582
1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96569870
N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 167805124
3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide
CID 71975520
1-[2-[(3R)-1-[(3S)-morpholine-3-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702543
1-[2-[(3S)-1-[(2R)-morpholine-2-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124619896
1-[2-[(3S)-1-[2-[[(2R)-oxolan-2-yl]methylamino]acetyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702502
1-[2-[(3R)-1-[2-[[(2S)-oxolan-2-yl]methylamino]acetyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702530
3-[3-(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)phenyl]-1H-imidazol-2-one
CID 167761619
1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96567308
1-[2-[(3S)-1-[(3S)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 100666548
1-[2-[(3R)-1-[(3S)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 100666529

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one (CID 166375690) is 3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one is O=C1CCCN1CCC1CN(C(=O)c2cccc(-n3cc[nH]c3=O)c2)c2ccccc21.
What is the InChIKey of 3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one?
The InChIKey is RICSTMLGPRWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-22-9-4-12-26(22)13-10-18-16-28(21-8-2-1-7-20(18)21)23(30)17-5-3-6-19(15-17)27-14-11-25-24(27)31/h1-3,5-8,11,14-15,18H,4,9-10,12-13,16H2,(H,25,31).
What are the key properties of 3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one?
3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one has a molecular weight of 416.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carbonyl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 166375690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).