1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine

C30H40N4 — CID 130177778

IUPAC1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)c(C)c(C)c(C)c1C)c1cn(C)c(/C(C)=N/c2c(C)c(C)c(C)c(C)c2C)n1
InChIInChI=1S/C30H40N4/c1-15-17(3)21(7)28(22(8)18(15)4)31-25(11)27-14-34(13)30(33-27)26(12)32-29-23(9)19(5)16(2)20(6)24(29)10/h14H,1-13H3/b31-25+,32-26+
InChIKeyQZGGDCIHKRLSBS-YESHOFFLSA-N
MW456.68 g/mol
LogP7.79
Rot. Bonds4

About 1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine

1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine (PubChem CID 130177778) has the molecular formula C30H40N4 and a molecular weight of 456.68 g/mol. Its IUPAC name is 1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine.

Molecular Properties

Compound Name1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine
PubChem CID130177778
Molecular FormulaC30H40N4
Molecular Weight456.68 g/mol
Exact Mass456.33
IUPAC Name1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)c(C)c(C)c(C)c1C)c1cn(C)c(/C(C)=N/c2c(C)c(C)c(C)c(C)c2C)n1
InChIInChI=1S/C30H40N4/c1-15-17(3)21(7)28(22(8)18(15)4)31-25(11)27-14-34(13)30(33-27)26(12)32-29-23(9)19(5)16(2)20(6)24(29)10/h14H,1-13H3/b31-25+,32-26+
InChIKeyQZGGDCIHKRLSBS-YESHOFFLSA-N
XLogP7.79
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.68
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine?
The IUPAC name of 1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine (CID 130177778) is 1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine.
What is the SMILES notation for 1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine?
The canonical SMILES for 1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine is C/C(=N\c1c(C)c(C)c(C)c(C)c1C)c1cn(C)c(/C(C)=N/c2c(C)c(C)c(C)c(C)c2C)n1.
What is the InChIKey of 1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine?
The InChIKey is QZGGDCIHKRLSBS-YESHOFFLSA-N. The full InChI is InChI=1S/C30H40N4/c1-15-17(3)21(7)28(22(8)18(15)4)31-25(11)27-14-34(13)30(33-27)26(12)32-29-23(9)19(5)16(2)20(6)24(29)10/h14H,1-13H3/b31-25+,32-26+.
What are the key properties of 1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine?
1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine has a molecular weight of 456.68 g/mol, XLogP of 7.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-2-[C-methyl-N-(2,3,4,5,6-pentamethylphenyl)carbonimidoyl]imidazol-4-yl]-N-(2,3,4,5,6-pentamethylphenyl)ethanimine is sourced from PubChem (CID 130177778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).