N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide

C25H23N3O3 — CID 11350484

IUPACN-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(C)cc2)cc1
InChIInChI=1S/C25H23N3O3/c1-17-7-9-18(10-8-17)25-22-6-4-3-5-21(22)23(29)27(25)15-16-28(25)24(30)26-19-11-13-20(31-2)14-12-19/h3-14H,15-16H2,1-2H3,(H,26,30)
InChIKeyHRLUPTMVVAREJL-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.21
Rot. Bonds3

About N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide

N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide (PubChem CID 11350484) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
PubChem CID11350484
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(C)cc2)cc1
InChIInChI=1S/C25H23N3O3/c1-17-7-9-18(10-8-17)25-22-6-4-3-5-21(22)23(29)27(25)15-16-28(25)24(30)26-19-11-13-20(31-2)14-12-19/h3-14H,15-16H2,1-2H3,(H,26,30)
InChIKeyHRLUPTMVVAREJL-UHFFFAOYSA-N
XLogP4.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorobenzoyl)-9b-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 71737782
10b-(4-methoxyphenyl)-1-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoindol-6-one
CID 21398454
9b-(4-chlorophenyl)-1-(2-methoxyacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025950
1-(4-phenoxybenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 71607099
(9bS)-9b-(4-methoxyphenyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5-one
CID 7332720
9b-(4-chlorophenyl)-1-(2,2,2-trifluoroacetyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59026070
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
9b-[4-(3-chloropropoxy)phenyl]-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025777
(2S,3S)-2,3-diacetyloxy-4-[(9bR)-9b-(4-chlorophenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-4-oxobutanoic acid
CID 59026003
1-[(4-fluorophenyl)methyl]-9b-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 59025933
N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3837519
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide (CID 11350484) is N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide is COc1ccc(NC(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
The InChIKey is HRLUPTMVVAREJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-7-9-18(10-8-17)25-22-6-4-3-5-21(22)23(29)27(25)15-16-28(25)24(30)26-19-11-13-20(31-2)14-12-19/h3-14H,15-16H2,1-2H3,(H,26,30).
What are the key properties of N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide?
N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-9b-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide is sourced from PubChem (CID 11350484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).