N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

C25H25Cl2N3 — CID 58097740

IUPACN-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1Cl)c1cccc(/C(C)=N/c2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C25H25Cl2N3/c1-14-10-16(3)24(20(26)12-14)28-18(5)22-8-7-9-23(30-22)19(6)29-25-17(4)11-15(2)13-21(25)27/h7-13H,1-6H3/b28-18+,29-19+
InChIKeyUWJFFOHIANAXSO-UOSOPFLXSA-N
MW438.40 g/mol
LogP7.90
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (PubChem CID 58097740) has the molecular formula C25H25Cl2N3 and a molecular weight of 438.40 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
PubChem CID58097740
Molecular FormulaC25H25Cl2N3
Molecular Weight438.40 g/mol
Exact Mass437.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1Cl)c1cccc(/C(C)=N/c2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C25H25Cl2N3/c1-14-10-16(3)24(20(26)12-14)28-18(5)22-8-7-9-23(30-22)19(6)29-25-17(4)11-15(2)13-21(25)27/h7-13H,1-6H3/b28-18+,29-19+
InChIKeyUWJFFOHIANAXSO-UOSOPFLXSA-N
XLogP7.90
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.40
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (CID 58097740) is N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is C/C(=N\c1c(C)cc(C)cc1Cl)c1cccc(/C(C)=N/c2c(C)cc(C)cc2Cl)n1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The InChIKey is UWJFFOHIANAXSO-UOSOPFLXSA-N. The full InChI is InChI=1S/C25H25Cl2N3/c1-14-10-16(3)24(20(26)12-14)28-18(5)22-8-7-9-23(30-22)19(6)29-25-17(4)11-15(2)13-21(25)27/h7-13H,1-6H3/b28-18+,29-19+.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine has a molecular weight of 438.40 g/mol, XLogP of 7.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 58097740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).