3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

C20H20Cl2N3O+ — CID 5177048

IUPAC3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
SMILESO=C1/C(=N/c2cc(Cl)cc(Cl)c2)c2ccccc2N1C[NH+]1CCCCC1
InChIInChI=1S/C20H19Cl2N3O/c21-14-10-15(22)12-16(11-14)23-19-17-6-2-3-7-18(17)25(20(19)26)13-24-8-4-1-5-9-24/h2-3,6-7,10-12H,1,4-5,8-9,13H2/p+1/b23-19+
InChIKeyDUPNLDISSGFARS-FCDQGJHFSA-O
MW389.31 g/mol
LogP3.49
Rot. Bonds3

About 3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one (PubChem CID 5177048) has the molecular formula C20H20Cl2N3O+ and a molecular weight of 389.31 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
PubChem CID5177048
Molecular FormulaC20H20Cl2N3O+
Molecular Weight389.31 g/mol
Exact Mass388.10
IUPAC Name3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
SMILESO=C1/C(=N/c2cc(Cl)cc(Cl)c2)c2ccccc2N1C[NH+]1CCCCC1
InChIInChI=1S/C20H19Cl2N3O/c21-14-10-15(22)12-16(11-14)23-19-17-6-2-3-7-18(17)25(20(19)26)13-24-8-4-1-5-9-24/h2-3,6-7,10-12H,1,4-5,8-9,13H2/p+1/b23-19+
InChIKeyDUPNLDISSGFARS-FCDQGJHFSA-O
XLogP3.49
TPSA37.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-N,1-dimethylhydrazinecarbothioamide
CID 6859846
3-(3,4-Dichlorophenyl)imino-1-prop-2-enylindol-2-one
CID 3561805
3-((3-Chlorophenyl)imino)indolin-2-one
CID 135411932
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(3-chlorophenyl)urea
CID 137062185
1-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995904
1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995905
1-(3-chlorophenyl)-3-[4-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995907
N-(3-Chlorophenyl)-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.5]dec-3-EN-1-YL}acetamide
CID 16062149
(3E)-3-[(3-chloro-4-fluorophenyl)imino]-1-(piperidin-1-ylmethyl)-1,3-dihydro-2H-indol-2-one
CID 1254989
(3E)-3-[(4-Fluorophenyl)imino]-1-[(piperidin-1-YL)methyl]-2,3-dihydro-1H-indol-2-one
CID 3457995
2H-Indol-2-one, 3-[(4-chlorophenyl)imino]-1-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-1,3-dihydro-
CID 589728
3-(3,5-Dichloro-phenylimino)-1,3-dihydro-indol-2-one
CID 135517981

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one?
The IUPAC name of 3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one (CID 5177048) is 3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one.
What is the SMILES notation for 3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one?
The canonical SMILES for 3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one is O=C1/C(=N/c2cc(Cl)cc(Cl)c2)c2ccccc2N1C[NH+]1CCCCC1.
What is the InChIKey of 3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one?
The InChIKey is DUPNLDISSGFARS-FCDQGJHFSA-O. The full InChI is InChI=1S/C20H19Cl2N3O/c21-14-10-15(22)12-16(11-14)23-19-17-6-2-3-7-18(17)25(20(19)26)13-24-8-4-1-5-9-24/h2-3,6-7,10-12H,1,4-5,8-9,13H2/p+1/b23-19+.
What are the key properties of 3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one?
3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one has a molecular weight of 389.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)imino-1-(piperidin-1-ium-1-ylmethyl)indol-2-one is sourced from PubChem (CID 5177048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).