iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate

C21H17CoN4O- — CID 88975332

IUPACiminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate
SMILESN=[Co].[H]/N=C/Oc1ccc(/N=C/c2ccc(/C=N/c3cc[c-]cc3)cc2)cc1
InChIInChI=1S/C21H16N3O.Co.HN/c22-16-25-21-12-10-20(11-13-21)24-15-18-8-6-17(7-9-18)14-23-19-4-2-1-3-5-19;;/h2-16,22H;;1H/q-1;;/b22-16+,23-14+,24-15+;;
InChIKeyNBSMKQPCZZPFKH-MPXKSSFMSA-N
MW400.33 g/mol
LogP5.27
Rot. Bonds6

About iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate

iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate (PubChem CID 88975332) has the molecular formula C21H17CoN4O- and a molecular weight of 400.33 g/mol. Its IUPAC name is iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate.

Molecular Properties

Compound Nameiminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate
PubChem CID88975332
Molecular FormulaC21H17CoN4O-
Molecular Weight400.33 g/mol
Exact Mass400.07
IUPAC Nameiminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate
SMILESN=[Co].[H]/N=C/Oc1ccc(/N=C/c2ccc(/C=N/c3cc[c-]cc3)cc2)cc1
InChIInChI=1S/C21H16N3O.Co.HN/c22-16-25-21-12-10-20(11-13-21)24-15-18-8-6-17(7-9-18)14-23-19-4-2-1-3-5-19;;/h2-16,22H;;1H/q-1;;/b22-16+,23-14+,24-15+;;
InChIKeyNBSMKQPCZZPFKH-MPXKSSFMSA-N
XLogP5.27
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.33
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate?
The IUPAC name of iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate (CID 88975332) is iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate.
What is the SMILES notation for iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate?
The canonical SMILES for iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate is N=[Co].[H]/N=C/Oc1ccc(/N=C/c2ccc(/C=N/c3cc[c-]cc3)cc2)cc1.
What is the InChIKey of iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate?
The InChIKey is NBSMKQPCZZPFKH-MPXKSSFMSA-N. The full InChI is InChI=1S/C21H16N3O.Co.HN/c22-16-25-21-12-10-20(11-13-21)24-15-18-8-6-17(7-9-18)14-23-19-4-2-1-3-5-19;;/h2-16,22H;;1H/q-1;;/b22-16+,23-14+,24-15+;;.
What are the key properties of iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate?
iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate has a molecular weight of 400.33 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iminocobalt;[4-[[4-(phenyliminomethyl)phenyl]methylideneamino]phenyl] methanimidate is sourced from PubChem (CID 88975332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).