3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one

C20H19N3O3 — CID 132533031

IUPAC3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(-c2c(C3C(=O)Nc4ccccc43)n(C)c(=O)n2C)cc1
InChIInChI=1S/C20H19N3O3/c1-22-17(12-8-10-13(26-3)11-9-12)18(23(2)20(22)25)16-14-6-4-5-7-15(14)21-19(16)24/h4-11,16H,1-3H3,(H,21,24)
InChIKeyYHYARUCHKSQNNZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.48
Rot. Bonds3

About 3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one

3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one (PubChem CID 132533031) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one
PubChem CID132533031
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(-c2c(C3C(=O)Nc4ccccc43)n(C)c(=O)n2C)cc1
InChIInChI=1S/C20H19N3O3/c1-22-17(12-8-10-13(26-3)11-9-12)18(23(2)20(22)25)16-14-6-4-5-7-15(14)21-19(16)24/h4-11,16H,1-3H3,(H,21,24)
InChIKeyYHYARUCHKSQNNZ-UHFFFAOYSA-N
XLogP2.48
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyphenyl)-1,3-dimethyl-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50751517
(9R)-9-(2,3-difluorophenyl)-17-(4-methoxyphenyl)-12,14-dimethyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
CID 92703343
3-bromo-4-(4-methoxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 6425507
1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-6-(4-phenylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047647
1,3-dimethyl-6-(4-methylphenyl)-5-(2-oxo-1,3-dihydroindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 50751409
6-(2-methoxyphenyl)-1,3-dimethyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047627
3-(6-methoxyindol-1-yl)-1,3-dihydroindol-2-one
CID 154352428
6-(2,5-dimethoxyphenyl)-1-methyl-5-[(3R)-2-oxo-1,3-dihydroindol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 97047630
5-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-1,3-diazinane-2,4,6-trione
CID 24945331
(9R)-9-(4-fluorophenyl)-17-(4-methoxyphenyl)-12,14-dimethyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
CID 92703335
(13R)-13-(2-hydroxyphenyl)-8-(4-methoxyphenyl)-3,5,10,10-tetramethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
CID 41067376
3-(4-ethoxynaphthalen-1-yl)-1,3-dihydroindol-2-one
CID 139780200

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one (CID 132533031) is 3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one is COc1ccc(-c2c(C3C(=O)Nc4ccccc43)n(C)c(=O)n2C)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is YHYARUCHKSQNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-22-17(12-8-10-13(26-3)11-9-12)18(23(2)20(22)25)16-14-6-4-5-7-15(14)21-19(16)24/h4-11,16H,1-3H3,(H,21,24).
What are the key properties of 3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one?
3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1,3-dimethyl-2-oxoimidazol-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 132533031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).