5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one

C14H14N4O — CID 118186278

IUPAC5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESNc1cc(-n2ccnc2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C14H14N4O/c15-9-6-10-12(11(7-9)18-5-4-16-8-18)17-13(19)14(10)2-1-3-14/h4-8H,1-3,15H2,(H,17,19)
InChIKeyFFRJNYJEJFGQGZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.83
Rot. Bonds1

About 5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one

5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 118186278) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID118186278
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESNc1cc(-n2ccnc2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C14H14N4O/c15-9-6-10-12(11(7-9)18-5-4-16-8-18)17-13(19)14(10)2-1-3-14/h4-8H,1-3,15H2,(H,17,19)
InChIKeyFFRJNYJEJFGQGZ-UHFFFAOYSA-N
XLogP1.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Adibendan
CID 65867
6-Imidazol-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 13885278
8-Imidazol-1-yl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
CID 44479646
5,7-Dihydro-7,7-dimethyl-2-(2-pyridinyl)pyrrolo[2,3-f]benzimidazol-6(3H)-one
CID 13589242
7,7-Dimethyl-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
CID 13589244
7,7-Dimethyl-2-(2-pyrrolyl)-6,7-dihydro-3H,5H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135767433
3,7,7-trimethyl-2-pyridin-4-yl-5H-pyrrolo[3,2-f]benzimidazol-6-one
CID 44283463
N-(3-imidazol-1-ylpropyl)-4-(2-oxo-1,3-dihydroindol-3-yl)butanamide
CID 168279842
N1-(3-(1H-imidazol-1-yl)propyl)-N2-(2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)oxalamide
CID 16823220
N-[3-(imidazol-1-ylmethyl)cyclobutyl]-2-oxo-1,3-dihydroindole-4-carboxamide
CID 177663301
4-Fluoro-3-[[3-fluoro-4-(3-imidazol-1-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90783044
3-[[3-Fluoro-4-(3-imidazol-1-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91097960

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one (CID 118186278) is 5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one is Nc1cc(-n2ccnc2)c2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of 5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is FFRJNYJEJFGQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-9-6-10-12(11(7-9)18-5-4-16-8-18)17-13(19)14(10)2-1-3-14/h4-8H,1-3,15H2,(H,17,19).
What are the key properties of 5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one?
5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 254.29 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 118186278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).