2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide

C19H23IN4O — CID 111097758

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(=O)N1CCc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C19H22N4O.HI/c20-19(21-12-10-15-6-2-1-3-7-15)22-14-18(24)23-13-11-16-8-4-5-9-17(16)23;/h1-9H,10-14H2,(H3,20,21,22);1H
InChIKeyFBOOBKAUNOPZEP-UHFFFAOYSA-N
MW450.32 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide (PubChem CID 111097758) has the molecular formula C19H23IN4O and a molecular weight of 450.32 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide
PubChem CID111097758
Molecular FormulaC19H23IN4O
Molecular Weight450.32 g/mol
Exact Mass450.09
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(=O)N1CCc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C19H22N4O.HI/c20-19(21-12-10-15-6-2-1-3-7-15)22-14-18(24)23-13-11-16-8-4-5-9-17(16)23;/h1-9H,10-14H2,(H3,20,21,22);1H
InChIKeyFBOOBKAUNOPZEP-UHFFFAOYSA-N
XLogP2.34
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 52.34
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

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545
1-butyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]guanidine
CID 111079017
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 111097765
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-methylphenyl)guanidine
CID 111097779
4-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047845
2-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 111117837
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-ethylguanidine;hydroiodide
CID 110966467
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)guanidine
CID 111079047
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiomorpholine-4-carboximidamide
CID 111097813
4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149108
2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 109137724
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111097787

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide (CID 111097758) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide is I.N/C(=N\CC(=O)N1CCc2ccccc21)NCCc1ccccc1.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
The InChIKey is FBOOBKAUNOPZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.HI/c20-19(21-12-10-15-6-2-1-3-7-15)22-14-18(24)23-13-11-16-8-4-5-9-17(16)23;/h1-9H,10-14H2,(H3,20,21,22);1H.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide has a molecular weight of 450.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111097758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).