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Imazamox

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
image of chemical
 

General Information

Common Name: Imazamox
IUPAC Name: 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Molecular Formula: C15H19N3O4
SMILES: CC(C)C1(C(=O)NC(=N1)C2=NC=C(C=C2C(=O)O)COC)C
Inchi: 1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)
Inchi Key: NUPJIGQFXCQJBK-UHFFFAOYSA-N
Cas No: 114311-32-9

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 0
Veber Violations 0
Egan Violations 0
Muegge Violations 0

Cross References

PubChem: 86137
Zinc: ZINC5442637
OdoRactor: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 305.33
Mass (g/mol) 305.138
Molar Refractivity 87.71
Net Charge -1
HBD 2
HBA 6
Rt Bonds 5
Rings 2
TPSA 100.88
Hetero Atoms 7
Heavy Atoms 22
Aromatic Heavy Atoms 6
Melting Point (°C) 166.0 to 166.7
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C) 1.26X10-11
Vapor Density (Air =1)
Fraction Csp3 0.47
LogP 1.217
iLOGP 2.05
XLOGP3 0.73
WLOGP 0.30
MLOGP -0.44
ESOL Log S -2.06
ESOL Solubility (mg/ml) 2.63
ESOL Solubility (mol/l) 0.009
ESOL Class: esol_class Soluble
Ali Log S -2.43
Ali Solubility (mg/ml) 1.14
Ali Solubility (mol/l) 0
Ali Class Soluble
Silicos-IT LogSw -3.92
Silicos-IT Solubility (mg/ml) 0.04
Silicos-IT Solubility (mol/l) 0
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 1
Log Kp (cm/s) -7.64
Bioavailability Score 0.55
Caco2 0
Human Intestinal Absorption 1
Plasm Protein Binding 0.666
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 1.59
Carcinogenicity (Binary) 0
Carcinogenicity (Trinary) Non-required
Eye Irritation 0
Hepatotoxicity 1
Androgen Receptor Binding 0
Aromatase Binding 1
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 1
Thyroid Receptor Binding 1
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0