1-imidazol-1-yl-N-(4-methylphenyl)ethanimine

C12H13N3 — CID 162681110

IUPAC1-imidazol-1-yl-N-(4-methylphenyl)ethanimine
SMILESC/C(=N\c1ccc(C)cc1)n1ccnc1
InChIInChI=1S/C12H13N3/c1-10-3-5-12(6-4-10)14-11(2)15-8-7-13-9-15/h3-9H,1-2H3/b14-11+
InChIKeyNQPLNAPCYGNUMK-SDNWHVSQSA-N
MW199.26 g/mol
LogP2.79
Rot. Bonds1

About 1-imidazol-1-yl-N-(4-methylphenyl)ethanimine

1-imidazol-1-yl-N-(4-methylphenyl)ethanimine (PubChem CID 162681110) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-(4-methylphenyl)ethanimine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-(4-methylphenyl)ethanimine
PubChem CID162681110
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-imidazol-1-yl-N-(4-methylphenyl)ethanimine
SMILESC/C(=N\c1ccc(C)cc1)n1ccnc1
InChIInChI=1S/C12H13N3/c1-10-3-5-12(6-4-10)14-11(2)15-8-7-13-9-15/h3-9H,1-2H3/b14-11+
InChIKeyNQPLNAPCYGNUMK-SDNWHVSQSA-N
XLogP2.79
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-imidazol-1-yl-N-(4-methylphenyl)-2-methylsulfanylethanimine
CID 170010722
N-(4-chlorophenyl)-1-imidazol-1-yl-2-methylsulfanylethanimine
CID 162681103
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
azane;2-(4-methylphenyl)guanidine
CID 172751004
cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride
CID 173244874
1-imidazol-1-ylpropane-1,2-dithione
CID 87350552
[4-[(4-methylphenyl)methoxy]phenyl]methyl imidazole-1-carboxylate
CID 51341654
[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone
CID 59566547
imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118869797
N-(3-bicyclo[3.1.0]hexanyl)imidazole-1-carboxamide
CID 130898986
1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole
CID 155185662
N-(5-methyl-3-pyridinyl)imidazole-1-carboxamide
CID 107586878

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-(4-methylphenyl)ethanimine?
The IUPAC name of 1-imidazol-1-yl-N-(4-methylphenyl)ethanimine (CID 162681110) is 1-imidazol-1-yl-N-(4-methylphenyl)ethanimine.
What is the SMILES notation for 1-imidazol-1-yl-N-(4-methylphenyl)ethanimine?
The canonical SMILES for 1-imidazol-1-yl-N-(4-methylphenyl)ethanimine is C/C(=N\c1ccc(C)cc1)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-N-(4-methylphenyl)ethanimine?
The InChIKey is NQPLNAPCYGNUMK-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H13N3/c1-10-3-5-12(6-4-10)14-11(2)15-8-7-13-9-15/h3-9H,1-2H3/b14-11+.
What are the key properties of 1-imidazol-1-yl-N-(4-methylphenyl)ethanimine?
1-imidazol-1-yl-N-(4-methylphenyl)ethanimine has a molecular weight of 199.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-(4-methylphenyl)ethanimine is sourced from PubChem (CID 162681110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).