N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide

C22H21N5O — CID 118045237

IUPACN'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
SMILESNC(=N\c1ccc(Oc2ccccc2)cc1)/N=C(\N)N1CCc2ccccc21
InChIInChI=1S/C22H21N5O/c23-21(26-22(24)27-15-14-16-6-4-5-9-20(16)27)25-17-10-12-19(13-11-17)28-18-7-2-1-3-8-18/h1-13H,14-15H2,(H4,23,24,25,26)
InChIKeyUPPPQCDSQWLHAX-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.80
Rot. Bonds3

About N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide

N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 118045237) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID118045237
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
SMILESNC(=N\c1ccc(Oc2ccccc2)cc1)/N=C(\N)N1CCc2ccccc21
InChIInChI=1S/C22H21N5O/c23-21(26-22(24)27-15-14-16-6-4-5-9-20(16)27)25-17-10-12-19(13-11-17)28-18-7-2-1-3-8-18/h1-13H,14-15H2,(H4,23,24,25,26)
InChIKeyUPPPQCDSQWLHAX-UHFFFAOYSA-N
XLogP3.80
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.80
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'}

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Related Compounds

N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 123661378
N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide
CID 22627552
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
N'-[N'-(3-phenoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 118055936
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 123730024
N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide
CID 18709570
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123601704
N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123407379
N'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide (CID 118045237) is N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide is NC(=N\c1ccc(Oc2ccccc2)cc1)/N=C(\N)N1CCc2ccccc21.
What is the InChIKey of N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is UPPPQCDSQWLHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c23-21(26-22(24)27-15-14-16-6-4-5-9-20(16)27)25-17-10-12-19(13-11-17)28-18-7-2-1-3-8-18/h1-13H,14-15H2,(H4,23,24,25,26).
What are the key properties of N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide?
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 371.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 118045237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).