2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one

C24H20N2O — CID 134117126

IUPAC2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one
SMILESO=C1c2c(c3ccccc3n2Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C24H20N2O/c27-24-23-21(17-25(24)15-18-9-3-1-4-10-18)20-13-7-8-14-22(20)26(23)16-19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKeyJUCPPASDVXROQH-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.85
Rot. Bonds4

About 2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one

2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one (PubChem CID 134117126) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one.

Molecular Properties

Compound Name2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one
PubChem CID134117126
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one
SMILESO=C1c2c(c3ccccc3n2Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C24H20N2O/c27-24-23-21(17-25(24)15-18-9-3-1-4-10-18)20-13-7-8-14-22(20)26(23)16-19-11-5-2-6-12-19/h1-14H,15-17H2
InChIKeyJUCPPASDVXROQH-UHFFFAOYSA-N
XLogP4.85
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-2-cyclohexyl-1H-pyrrolo[3,4-b]indol-3-one
CID 680566
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
1-benzyl-3,4-dichloro-2H-pyrrol-5-one
CID 22345347
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
5-benzyl-10-methylphenanthridin-6-one
CID 71505961
2-benzyl-4-methyl-3,9-dihydropyrrolo[3,4-b]carbazol-1-one
CID 135016773
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
CID 11509882
5-benzyl-8-chlorophenanthridin-6-one
CID 71506154
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
1-benzylindole-2,3-diamine
CID 142192316
2-benzyl-9-[(3-methoxyphenyl)methyl]-3,4-dihydropyrido[3,4-b]indole-1-thione
CID 89188498

Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one?
The IUPAC name of 2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one (CID 134117126) is 2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one.
What is the SMILES notation for 2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one?
The canonical SMILES for 2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one is O=C1c2c(c3ccccc3n2Cc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one?
The InChIKey is JUCPPASDVXROQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c27-24-23-21(17-25(24)15-18-9-3-1-4-10-18)20-13-7-8-14-22(20)26(23)16-19-11-5-2-6-12-19/h1-14H,15-17H2.
What are the key properties of 2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one?
2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one has a molecular weight of 352.44 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one is sourced from PubChem (CID 134117126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).