dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide

C20H17Cl2CoN3 — CID 10972017

IUPACdichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide
SMILESC(=N/c1ccccc1)\N(/C=N/c1ccccc1)c1ccccc1.Cl[Co]Cl
InChIInChI=1S/C20H17N3.2ClH.Co/c1-4-10-18(11-5-1)21-16-23(20-14-8-3-9-15-20)17-22-19-12-6-2-7-13-19;;;/h1-17H;2*1H;/q;;;+2/p-2/b21-16+,22-17+;;;
InChIKeyICCDNLBAXHTMMF-BXDQHYGTSA-L
MW429.22 g/mol
LogP6.59
Rot. Bonds5

About dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide

dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide (PubChem CID 10972017) has the molecular formula C20H17Cl2CoN3 and a molecular weight of 429.22 g/mol. Its IUPAC name is dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide.

Molecular Properties

Compound Namedichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide
PubChem CID10972017
Molecular FormulaC20H17Cl2CoN3
Molecular Weight429.22 g/mol
Exact Mass428.01
IUPAC Namedichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide
SMILESC(=N/c1ccccc1)\N(/C=N/c1ccccc1)c1ccccc1.Cl[Co]Cl
InChIInChI=1S/C20H17N3.2ClH.Co/c1-4-10-18(11-5-1)21-16-23(20-14-8-3-9-15-20)17-22-19-12-6-2-7-13-19;;;/h1-17H;2*1H;/q;;;+2/p-2/b21-16+,22-17+;;;
InChIKeyICCDNLBAXHTMMF-BXDQHYGTSA-L
XLogP6.59
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.22
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[methyl(phenyliminomethyl)amino]ethyl]-N'-phenylmethanimidamide
CID 124927893
N-phenyl-N-(phenyliminomethyl)benzenecarboximidamide
CID 167251007
N-methanethioyl-N-phenylmethanethioamide
CID 57484015
2,2,2-trifluoro-N-phenylethanimine
CID 86178154
2-chloro-N,N'-diphenylpropane-1,3-diimine;hydrochloride
CID 70596663
N,1-diphenylmethanimine
CID 10858
ethane;N-phenylethanimine
CID 91127812
4-nitro-N-phenyl-N-(phenyliminomethyl)benzamide
CID 11450808
bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine
CID 22968105
N-methyl-N'-phenylethane-1,2-diimine
CID 21014566
N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide
CID 20517414
2,4-dihydroxy-6-oxo-N,1-diphenyl-N-(phenyliminomethyl)pyridine-3-carboxamide
CID 135454230

Frequently Asked Questions

What is the IUPAC name of dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide?
The IUPAC name of dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide (CID 10972017) is dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide.
What is the SMILES notation for dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide?
The canonical SMILES for dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide is C(=N/c1ccccc1)\N(/C=N/c1ccccc1)c1ccccc1.Cl[Co]Cl.
What is the InChIKey of dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide?
The InChIKey is ICCDNLBAXHTMMF-BXDQHYGTSA-L. The full InChI is InChI=1S/C20H17N3.2ClH.Co/c1-4-10-18(11-5-1)21-16-23(20-14-8-3-9-15-20)17-22-19-12-6-2-7-13-19;;;/h1-17H;2*1H;/q;;;+2/p-2/b21-16+,22-17+;;;.
What are the key properties of dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide?
dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide has a molecular weight of 429.22 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocobalt;N,N'-diphenyl-N-(phenyliminomethyl)methanimidamide is sourced from PubChem (CID 10972017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).