1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol

C21H23Cl2N3O — CID 3075122

IUPAC1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol
SMILESCCN(CC)CC/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C21H23Cl2N3O/c1-3-25(4-2)13-12-24-14-16-15-8-5-6-11-19(15)26(21(16)27)20-17(22)9-7-10-18(20)23/h5-11,14,27H,3-4,12-13H2,1-2H3/b24-14+
InChIKeyYCPFCDWZMDIEDU-ZVHZXABRSA-N
MW404.34 g/mol
LogP5.40
Rot. Bonds7

About 1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol

1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol (PubChem CID 3075122) has the molecular formula C21H23Cl2N3O and a molecular weight of 404.34 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol
PubChem CID3075122
Molecular FormulaC21H23Cl2N3O
Molecular Weight404.34 g/mol
Exact Mass403.12
IUPAC Name1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol
SMILESCCN(CC)CC/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C21H23Cl2N3O/c1-3-25(4-2)13-12-24-14-16-15-8-5-6-11-19(15)26(21(16)27)20-17(22)9-7-10-18(20)23/h5-11,14,27H,3-4,12-13H2,1-2H3/b24-14+
InChIKeyYCPFCDWZMDIEDU-ZVHZXABRSA-N
XLogP5.40
TPSA40.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.34
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,3-Dihydro-1-(2,6-dichlorophenyl)-3-(((2-hydroxyethyl)amino)methylene)-2H-indol-2-one
CID 3075125
2H-Indol-2-one, 1,3-dihydro-1-(2,6-dichlorophenyl)-3-(((1-(hydroxymethyl)propyl)amino)methylene)-, (Z)-
CID 3075127
2H-Indol-2-one, 1,3-dihydro-1-(2,6-dichlorophenyl)-3-(((3-hydroxypropyl)amino)methylene)-, (Z)-
CID 1736267
1-ethyl-3-(2-piperidinylidene)-1,3-dihydro-2H-indol-2-one
CID 878566
(3Z)-3-{[(4-chlorobenzyl)amino]methylene}-1,3-dihydro-2H-indol-2-one
CID 2256113
(Z)-1-(2',6'-Dichlorophenyl)-3-(alpha-methyl-beta-phenylethyl)aminomethylene-2-indolinone
CID 3075124
1-(3-Chlorophenyl)-3-ethanimidoylindol-2-ol
CID 135618099
6-Chloro-3-ethanimidoyl-1-phenylindol-2-ol
CID 135618100
1-phenyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol
CID 135903014
1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-7-yl)indol-2-ol
CID 135903015
1-(3-Chlorophenyl)-3-(aminomethylene)-2(1H,3H)-indolone
CID 135923456
3-(Benzyliminomethyl)-1-(3-chlorophenyl)indol-2-ol
CID 135923457

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol (CID 3075122) is 1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol is CCN(CC)CC/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol?
The InChIKey is YCPFCDWZMDIEDU-ZVHZXABRSA-N. The full InChI is InChI=1S/C21H23Cl2N3O/c1-3-25(4-2)13-12-24-14-16-15-8-5-6-11-19(15)26(21(16)27)20-17(22)9-7-10-18(20)23/h5-11,14,27H,3-4,12-13H2,1-2H3/b24-14+.
What are the key properties of 1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol?
1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol has a molecular weight of 404.34 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[2-(diethylamino)ethyliminomethyl]indol-2-ol is sourced from PubChem (CID 3075122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).