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

C19H18Cl2N3O+ — CID 3319627

IUPAC3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one
SMILESO=C1/C(=N/c2cc(Cl)cc(Cl)c2)c2ccccc2N1C[NH+]1CCCC1
InChIInChI=1S/C19H17Cl2N3O/c20-13-9-14(21)11-15(10-13)22-18-16-5-1-2-6-17(16)24(19(18)25)12-23-7-3-4-8-23/h1-2,5-6,9-11H,3-4,7-8,12H2/p+1/b22-18+
InChIKeyMRHSCHNYYVXGSC-RELWKKBWSA-O
MW375.28 g/mol
LogP3.10
Rot. Bonds3

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

3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one (PubChem CID 3319627) has the molecular formula C19H18Cl2N3O+ and a molecular weight of 375.28 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one
PubChem CID3319627
Molecular FormulaC19H18Cl2N3O+
Molecular Weight375.28 g/mol
Exact Mass374.08
IUPAC Name3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one
SMILESO=C1/C(=N/c2cc(Cl)cc(Cl)c2)c2ccccc2N1C[NH+]1CCCC1
InChIInChI=1S/C19H17Cl2N3O/c20-13-9-14(21)11-15(10-13)22-18-16-5-1-2-6-17(16)24(19(18)25)12-23-7-3-4-8-23/h1-2,5-6,9-11H,3-4,7-8,12H2/p+1/b22-18+
InChIKeyMRHSCHNYYVXGSC-RELWKKBWSA-O
XLogP3.10
TPSA37.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.10
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-(3-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995904
N-(3-Chlorophenyl)-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.4]non-3-EN-1-YL}acetamide
CID 16063444
(3E)-3-[(3-chloro-4-fluorophenyl)imino]-1-(piperidin-1-ylmethyl)-1,3-dihydro-2H-indol-2-one
CID 1254989
3-(3,5-Dichloro-phenylimino)-1,3-dihydro-indol-2-one
CID 135517981
(3Z)-3-[(4-chlorophenyl)imino]-1-[(4-methylpiperidin-1-yl)methyl]-1,3-dihydro-2H-indol-2-one
CID 1514474
N-(3-chlorophenyl)-2-(2,2-dimethyl-5-oxo-4-phenylimidazol-1-yl)acetamide
CID 23603214
1-(3-chlorophenyl)-3-[(1S)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]urea
CID 52252192
1-[[1-[(2,6-Dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino]-1,3-dimethylthiourea
CID 1253964
3-(3-Chlorophenyl)imino-1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]indol-2-one
CID 1281804

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one?
The IUPAC name of 3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one (CID 3319627) is 3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one.
What is the SMILES notation for 3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one?
The canonical SMILES for 3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one is O=C1/C(=N/c2cc(Cl)cc(Cl)c2)c2ccccc2N1C[NH+]1CCCC1.
What is the InChIKey of 3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one?
The InChIKey is MRHSCHNYYVXGSC-RELWKKBWSA-O. The full InChI is InChI=1S/C19H17Cl2N3O/c20-13-9-14(21)11-15(10-13)22-18-16-5-1-2-6-17(16)24(19(18)25)12-23-7-3-4-8-23/h1-2,5-6,9-11H,3-4,7-8,12H2/p+1/b22-18+.
What are the key properties of 3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one?
3-(3,5-dichlorophenyl)imino-1-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one has a molecular weight of 375.28 g/mol, XLogP of 3.10, 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-(pyrrolidin-1-ium-1-ylmethyl)indol-2-one is sourced from PubChem (CID 3319627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).