N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

C19H23ClIN3O — CID 110984421

IUPACN'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)c1ccc(Cl)cc1)N1CCc2ccccc21.I
InChIInChI=1S/C19H22ClN3O.HI/c1-2-21-19(23-12-11-14-5-3-4-6-17(14)23)22-13-18(24)15-7-9-16(20)10-8-15;/h3-10,18,24H,2,11-13H2,1H3,(H,21,22);1H
InChIKeyVJZQZTOREICNTG-UHFFFAOYSA-N
MW471.77 g/mol
LogP4.02
Rot. Bonds4

About N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984421) has the molecular formula C19H23ClIN3O and a molecular weight of 471.77 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984421
Molecular FormulaC19H23ClIN3O
Molecular Weight471.77 g/mol
Exact Mass471.06
IUPAC NameN'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(O)c1ccc(Cl)cc1)N1CCc2ccccc21.I
InChIInChI=1S/C19H22ClN3O.HI/c1-2-21-19(23-12-11-14-5-3-4-6-17(14)23)22-13-18(24)15-7-9-16(20)10-8-15;/h3-10,18,24H,2,11-13H2,1H3,(H,21,22);1H
InChIKeyVJZQZTOREICNTG-UHFFFAOYSA-N
XLogP4.02
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.77
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 111495416
N-ethyl-N'-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2,3-dihydroindole-1-carboximidamide
CID 119116474
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110985108
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N-ethyl-N'-(furan-2-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984233
N-[2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 110984746
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985189
N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 111548684
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983882

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984421) is N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\CC(O)c1ccc(Cl)cc1)N1CCc2ccccc21.I.
What is the InChIKey of N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is VJZQZTOREICNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O.HI/c1-2-21-19(23-12-11-14-5-3-4-6-17(14)23)22-13-18(24)15-7-9-16(20)10-8-15;/h3-10,18,24H,2,11-13H2,1H3,(H,21,22);1H.
What are the key properties of N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 471.77 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).