N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine

C31H42N4 — CID 132837909

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)n1cnc(/C=N/c2c(C(C)C)cccc2C(C)C)c1C
InChIInChI=1S/C31H42N4/c1-19(2)25-13-11-14-26(20(3)4)30(25)32-17-29-23(9)35(18-33-29)24(10)34-31-27(21(5)6)15-12-16-28(31)22(7)8/h11-22H,1-10H3/b32-17+,34-24+
InChIKeyFMRZAJZTYHEHMT-UWKHWUNSSA-N
MW470.71 g/mol
LogP9.03
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine

N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine (PubChem CID 132837909) has the molecular formula C31H42N4 and a molecular weight of 470.71 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine
PubChem CID132837909
Molecular FormulaC31H42N4
Molecular Weight470.71 g/mol
Exact Mass470.34
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)n1cnc(/C=N/c2c(C(C)C)cccc2C(C)C)c1C
InChIInChI=1S/C31H42N4/c1-19(2)25-13-11-14-26(20(3)4)30(25)32-17-29-23(9)35(18-33-29)24(10)34-31-27(21(5)6)15-12-16-28(31)22(7)8/h11-22H,1-10H3/b32-17+,34-24+
InChIKeyFMRZAJZTYHEHMT-UWKHWUNSSA-N
XLogP9.03
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.71
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783
N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine
CID 102499508
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride
CID 173243069
carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
CID 147504192
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine
CID 102098000
N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine
CID 58933058

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine (CID 132837909) is N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine is C/C(=N\c1c(C(C)C)cccc1C(C)C)n1cnc(/C=N/c2c(C(C)C)cccc2C(C)C)c1C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine?
The InChIKey is FMRZAJZTYHEHMT-UWKHWUNSSA-N. The full InChI is InChI=1S/C31H42N4/c1-19(2)25-13-11-14-26(20(3)4)30(25)32-17-29-23(9)35(18-33-29)24(10)34-31-27(21(5)6)15-12-16-28(31)22(7)8/h11-22H,1-10H3/b32-17+,34-24+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine has a molecular weight of 470.71 g/mol, XLogP of 9.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-5-methylimidazol-1-yl]ethanimine is sourced from PubChem (CID 132837909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).