dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine

C26H30Cl2FeN4 — CID 22968203

IUPACdichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1ccnc(/C(C)=N/c2c(C)cc(C)cc2C)n1.Cl[Fe]Cl
InChIInChI=1S/C26H30N4.2ClH.Fe/c1-15-11-17(3)24(18(4)12-15)28-21(7)23-9-10-27-26(30-23)22(8)29-25-19(5)13-16(2)14-20(25)6;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2/b28-21+,29-22+;;;
InChIKeyRUNFNHUXVSQDLF-QAHUUBDLSA-L
MW525.31 g/mol
LogP7.99
Rot. Bonds4

About dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine

dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine (PubChem CID 22968203) has the molecular formula C26H30Cl2FeN4 and a molecular weight of 525.31 g/mol. Its IUPAC name is dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine.

Molecular Properties

Compound Namedichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine
PubChem CID22968203
Molecular FormulaC26H30Cl2FeN4
Molecular Weight525.31 g/mol
Exact Mass524.12
IUPAC Namedichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1ccnc(/C(C)=N/c2c(C)cc(C)cc2C)n1.Cl[Fe]Cl
InChIInChI=1S/C26H30N4.2ClH.Fe/c1-15-11-17(3)24(18(4)12-15)28-21(7)23-9-10-27-26(30-23)22(8)29-25-19(5)13-16(2)14-20(25)6;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2/b28-21+,29-22+;;;
InChIKeyRUNFNHUXVSQDLF-QAHUUBDLSA-L
XLogP7.99
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.31
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;dichloroiron
CID 163240919
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;vanadium;trichloride
CID 173243756
N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 59305956
dichloroiron;1-[1-methyl-2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 140654192
1-[4-chloro-6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;cobalt(2+);dichloride
CID 173242783
carbanide;cobalt(2+);1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 59100370
dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine
CID 24741899
N-methyl-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine
CID 118102441
dichloroiron;1-[2-[C-methyl-N-(2-propan-2-ylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2-propan-2-ylphenyl)ethanimine
CID 140654530
dichloroiron;1-[1-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]isoquinolin-3-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 140795238
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
1-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 149311972

Frequently Asked Questions

What is the IUPAC name of dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine?
The IUPAC name of dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine (CID 22968203) is dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine.
What is the SMILES notation for dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine?
The canonical SMILES for dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine is C/C(=N\c1c(C)cc(C)cc1C)c1ccnc(/C(C)=N/c2c(C)cc(C)cc2C)n1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine?
The InChIKey is RUNFNHUXVSQDLF-QAHUUBDLSA-L. The full InChI is InChI=1S/C26H30N4.2ClH.Fe/c1-15-11-17(3)24(18(4)12-15)28-21(7)23-9-10-27-26(30-23)22(8)29-25-19(5)13-16(2)14-20(25)6;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2/b28-21+,29-22+;;;.
What are the key properties of dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine?
dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine has a molecular weight of 525.31 g/mol, XLogP of 7.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine is sourced from PubChem (CID 22968203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).