2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one

C22H15NO2 — CID 135687056

IUPAC2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one
SMILESO=C1C(/C(=N/c2ccccc2)c2ccccc2)=C(O)c2ccccc21
InChIInChI=1S/C22H15NO2/c24-21-17-13-7-8-14-18(17)22(25)19(21)20(15-9-3-1-4-10-15)23-16-11-5-2-6-12-16/h1-14,24H/b23-20+
InChIKeyVNGIWVRMHGJXER-BSYVCWPDSA-N
MW325.37 g/mol
LogP4.97
Rot. Bonds3

About 2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one

2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one (PubChem CID 135687056) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one
PubChem CID135687056
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one
SMILESO=C1C(/C(=N/c2ccccc2)c2ccccc2)=C(O)c2ccccc21
InChIInChI=1S/C22H15NO2/c24-21-17-13-7-8-14-18(17)22(25)19(21)20(15-9-3-1-4-10-15)23-16-11-5-2-6-12-16/h1-14,24H/b23-20+
InChIKeyVNGIWVRMHGJXER-BSYVCWPDSA-N
XLogP4.97
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135470599
2-[N-(4-bromophenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135441617
2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135401657
4-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]benzenesulfonamide
CID 135408455
1-hydroxy-3,4-dioxonaphthalene-2-carboxylic acid;iron
CID 175246431
3-hydroxy-2-[C-methyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]inden-1-one
CID 135442008
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]-3-hydroxyinden-1-one
CID 137036855
dibromovanadium;2-(C,N-diphenylcarbonimidoyl)-6-phenylphenol
CID 135967148
3-hydroxy-2-[C-methyl-N-(2-phenylsulfanylphenyl)carbonimidoyl]inden-1-one
CID 135537857
3-butanoyl-4-hydroxy-2-phenyliminonaphthalen-1-one
CID 135503633
N,N'-bis(4-fluorophenyl)-1-hydroxy-3,4-dioxonaphthalene-2-carboximidamide
CID 137318007

Frequently Asked Questions

What is the IUPAC name of 2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one?
The IUPAC name of 2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one (CID 135687056) is 2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one.
What is the SMILES notation for 2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one?
The canonical SMILES for 2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one is O=C1C(/C(=N/c2ccccc2)c2ccccc2)=C(O)c2ccccc21.
What is the InChIKey of 2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one?
The InChIKey is VNGIWVRMHGJXER-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H15NO2/c24-21-17-13-7-8-14-18(17)22(25)19(21)20(15-9-3-1-4-10-15)23-16-11-5-2-6-12-16/h1-14,24H/b23-20+.
What are the key properties of 2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one?
2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one has a molecular weight of 325.37 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one is sourced from PubChem (CID 135687056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).