1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide

C13H17IN4O — CID 45260042

IUPAC1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide
SMILESCC(=O)N1CCc2ccc(NC3=NCCN3)cc21.I
InChIInChI=1S/C13H16N4O.HI/c1-9(18)17-7-4-10-2-3-11(8-12(10)17)16-13-14-5-6-15-13;/h2-3,8H,4-7H2,1H3,(H2,14,15,16);1H
InChIKeyKFOGSNGCMBSGCV-UHFFFAOYSA-N
MW372.21 g/mol
LogP1.58
Rot. Bonds1

About 1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide

1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide (PubChem CID 45260042) has the molecular formula C13H17IN4O and a molecular weight of 372.21 g/mol. Its IUPAC name is 1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide.

Molecular Properties

Compound Name1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide
PubChem CID45260042
Molecular FormulaC13H17IN4O
Molecular Weight372.21 g/mol
Exact Mass372.04
IUPAC Name1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide
SMILESCC(=O)N1CCc2ccc(NC3=NCCN3)cc21.I
InChIInChI=1S/C13H16N4O.HI/c1-9(18)17-7-4-10-2-3-11(8-12(10)17)16-13-14-5-6-15-13;/h2-3,8H,4-7H2,1H3,(H2,14,15,16);1H
InChIKeyKFOGSNGCMBSGCV-UHFFFAOYSA-N
XLogP1.58
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide with MolForge

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Related Compounds

1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 15840805
4-(4,5-dihydro-1H-imidazol-2-ylamino)pyridine-2-carboxylic acid
CID 20619265
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile
CID 169337871
N-(1-acetyl-2,3-dihydroindol-6-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 110627246
1-[6-[(4-chlorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 67223454
1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone
CID 110627257
N-(1-acetyl-2,3-dihydroindol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110627216
7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one
CID 66887314
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide
CID 110307285
5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537032
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide?
The IUPAC name of 1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide (CID 45260042) is 1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide.
What is the SMILES notation for 1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide?
The canonical SMILES for 1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide is CC(=O)N1CCc2ccc(NC3=NCCN3)cc21.I.
What is the InChIKey of 1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide?
The InChIKey is KFOGSNGCMBSGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.HI/c1-9(18)17-7-4-10-2-3-11(8-12(10)17)16-13-14-5-6-15-13;/h2-3,8H,4-7H2,1H3,(H2,14,15,16);1H.
What are the key properties of 1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide?
1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide has a molecular weight of 372.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide is sourced from PubChem (CID 45260042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).