3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide

C14H19IN4O — CID 120969198

IUPAC3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide
SMILESCN1CCN=C1NCCC1C(=O)Nc2ccccc21.I
InChIInChI=1S/C14H18N4O.HI/c1-18-9-8-16-14(18)15-7-6-11-10-4-2-3-5-12(10)17-13(11)19;/h2-5,11H,6-9H2,1H3,(H,15,16)(H,17,19);1H
InChIKeyYCUNIKBYFFRDBN-UHFFFAOYSA-N
MW386.24 g/mol
LogP1.62
Rot. Bonds3

About 3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide

3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide (PubChem CID 120969198) has the molecular formula C14H19IN4O and a molecular weight of 386.24 g/mol. Its IUPAC name is 3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide.

Molecular Properties

Compound Name3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide
PubChem CID120969198
Molecular FormulaC14H19IN4O
Molecular Weight386.24 g/mol
Exact Mass386.06
IUPAC Name3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide
SMILESCN1CCN=C1NCCC1C(=O)Nc2ccccc21.I
InChIInChI=1S/C14H18N4O.HI/c1-18-9-8-16-14(18)15-7-6-11-10-4-2-3-5-12(10)17-13(11)19;/h2-5,11H,6-9H2,1H3,(H,15,16)(H,17,19);1H
InChIKeyYCUNIKBYFFRDBN-UHFFFAOYSA-N
XLogP1.62
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide?
The IUPAC name of 3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide (CID 120969198) is 3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide.
What is the SMILES notation for 3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide?
The canonical SMILES for 3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide is CN1CCN=C1NCCC1C(=O)Nc2ccccc21.I.
What is the InChIKey of 3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide?
The InChIKey is YCUNIKBYFFRDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.HI/c1-18-9-8-16-14(18)15-7-6-11-10-4-2-3-5-12(10)17-13(11)19;/h2-5,11H,6-9H2,1H3,(H,15,16)(H,17,19);1H.
What are the key properties of 3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide?
3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide has a molecular weight of 386.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]-1,3-dihydroindol-2-one;hydroiodide is sourced from PubChem (CID 120969198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).