N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine

C18H27N3 — CID 102499508

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)N1C=CN(C)C1
InChIInChI=1S/C18H27N3/c1-13(2)16-8-7-9-17(14(3)4)18(16)19-15(5)21-11-10-20(6)12-21/h7-11,13-14H,12H2,1-6H3/b19-15+
InChIKeyAMJQDNCVWHRTCC-XDJHFCHBSA-N
MW285.44 g/mol
LogP4.66
Rot. Bonds3

About N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine

N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine (PubChem CID 102499508) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine
PubChem CID102499508
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)N1C=CN(C)C1
InChIInChI=1S/C18H27N3/c1-13(2)16-8-7-9-17(14(3)4)18(16)19-15(5)21-11-10-20(6)12-21/h7-11,13-14H,12H2,1-6H3/b19-15+
InChIKeyAMJQDNCVWHRTCC-XDJHFCHBSA-N
XLogP4.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.66
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'}

Analyze N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)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

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
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);(Z)-but-2-ene-2,3-diolate;nickel
CID 139170937
1-N,4-N-bis[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]benzene-1,4-diamine
CID 162408249
3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
CID 102209493
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
CID 139084602
azane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron
CID 16726514
bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine
CID 20750698
CID 102466319
CID 102466319
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine (CID 102499508) is N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine is C/C(=N\c1c(C(C)C)cccc1C(C)C)N1C=CN(C)C1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine?
The InChIKey is AMJQDNCVWHRTCC-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)16-8-7-9-17(14(3)4)18(16)19-15(5)21-11-10-20(6)12-21/h7-11,13-14H,12H2,1-6H3/b19-15+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine has a molecular weight of 285.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-(3-methyl-2H-imidazol-1-yl)ethanimine is sourced from PubChem (CID 102499508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).