N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide

C16H17N3O — CID 22627552

IUPACN'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide
SMILESCOc1ccc(/N=C(\N)N2CCc3ccccc32)cc1
InChIInChI=1S/C16H17N3O/c1-20-14-8-6-13(7-9-14)18-16(17)19-11-10-12-4-2-3-5-15(12)19/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeyJLDYGEWBLIYNEL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.70
Rot. Bonds2

About N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide

N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide (PubChem CID 22627552) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide
PubChem CID22627552
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide
SMILESCOc1ccc(/N=C(\N)N2CCc3ccccc32)cc1
InChIInChI=1S/C16H17N3O/c1-20-14-8-6-13(7-9-14)18-16(17)19-11-10-12-4-2-3-5-15(12)19/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeyJLDYGEWBLIYNEL-UHFFFAOYSA-N
XLogP2.70
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide
CID 18709570
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 123661378
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 118045237
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
N'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
N'-propyl-2,3-dihydroindole-1-carboximidamide
CID 62360656
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 18709592
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide (CID 22627552) is N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide is COc1ccc(/N=C(\N)N2CCc3ccccc32)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide?
The InChIKey is JLDYGEWBLIYNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-14-8-6-13(7-9-14)18-16(17)19-11-10-12-4-2-3-5-15(12)19/h2-9H,10-11H2,1H3,(H2,17,18).
What are the key properties of N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide?
N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide has a molecular weight of 267.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 22627552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).