3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one

C23H28N2O — CID 139203243

IUPAC3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one
SMILESCc1ccc(C)c2c1/C(=N/c1c(C(C)C)cccc1C(C)C)C(=O)N2C
InChIInChI=1S/C23H28N2O/c1-13(2)17-9-8-10-18(14(3)4)20(17)24-21-19-15(5)11-12-16(6)22(19)25(7)23(21)26/h8-14H,1-7H3/b24-21-
InChIKeyQJTZHEZNUWQBCC-FLFQWRMESA-N
MW348.49 g/mol
LogP5.65
Rot. Bonds3

About 3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one

3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one (PubChem CID 139203243) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one.

Molecular Properties

Compound Name3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one
PubChem CID139203243
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one
SMILESCc1ccc(C)c2c1/C(=N/c1c(C(C)C)cccc1C(C)C)C(=O)N2C
InChIInChI=1S/C23H28N2O/c1-13(2)17-9-8-10-18(14(3)4)20(17)24-21-19-15(5)11-12-16(6)22(19)25(7)23(21)26/h8-14H,1-7H3/b24-21-
InChIKeyQJTZHEZNUWQBCC-FLFQWRMESA-N
XLogP5.65
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-1,2,3,4-tetrahydrofluoren-9-imine
CID 46867979
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
CID 177402644
CID 177402644
N-[2,6-di(propan-2-yl)phenyl]pyrrolo[1,2-a]indol-4-imine
CID 46867838
ethyl N-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,3-dioxoisoindol-4-yl]carbamate
CID 70493369
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443
2,3,9,10-tetrabromo-6,13-bis[2,6-di(propan-2-yl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 23652064
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methyl-6-propan-2-ylphenyl)methanediimine
CID 20719131
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
(1S)-3-[2,6-di(propan-2-yl)phenyl]imino-1,7-dimethyl-1,2-dihydroinden-4-ol
CID 136738238
9-N,10-N-bis[2,6-di(propan-2-yl)phenyl]phenanthrene-9,10-diimine;oxolane
CID 139157818
6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1H-pyridin-2-one
CID 174755855

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one?
The IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one (CID 139203243) is 3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one?
The canonical SMILES for 3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one is Cc1ccc(C)c2c1/C(=N/c1c(C(C)C)cccc1C(C)C)C(=O)N2C.
What is the InChIKey of 3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one?
The InChIKey is QJTZHEZNUWQBCC-FLFQWRMESA-N. The full InChI is InChI=1S/C23H28N2O/c1-13(2)17-9-8-10-18(14(3)4)20(17)24-21-19-15(5)11-12-16(6)22(19)25(7)23(21)26/h8-14H,1-7H3/b24-21-.
What are the key properties of 3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one?
3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one has a molecular weight of 348.49 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)phenyl]imino-1,4,7-trimethylindol-2-one is sourced from PubChem (CID 139203243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).