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

C13H16N4O — CID 15840805

IUPAC1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NC3=NCCN3)ccc21
InChIInChI=1S/C13H16N4O/c1-9(18)17-7-4-10-8-11(2-3-12(10)17)16-13-14-5-6-15-13/h2-3,8H,4-7H2,1H3,(H2,14,15,16)
InChIKeyWPXAHNHNDJSESE-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.97
Rot. Bonds1

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

1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 15840805) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
PubChem CID15840805
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NC3=NCCN3)ccc21
InChIInChI=1S/C13H16N4O/c1-9(18)17-7-4-10-8-11(2-3-12(10)17)16-13-14-5-6-15-13/h2-3,8H,4-7H2,1H3,(H2,14,15,16)
InChIKeyWPXAHNHNDJSESE-UHFFFAOYSA-N
XLogP0.97
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide
CID 45260042
6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile
CID 18156172
5-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-4-chloro-2-methylpyridazin-3-one
CID 167868003
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
1-[5-(5-chloro-2-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110452814
1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684604
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
CID 18101699
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)amino]piperidin-1-yl]ethanone
CID 4547632
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 63139280
(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone (CID 15840805) is 1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(NC3=NCCN3)ccc21.
What is the InChIKey of 1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is WPXAHNHNDJSESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(18)17-7-4-10-8-11(2-3-12(10)17)16-13-14-5-6-15-13/h2-3,8H,4-7H2,1H3,(H2,14,15,16).
What are the key properties of 1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 244.30 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 15840805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).