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CAS 74362-46-2 IMIDAZOLE-15N2 molecular structure lightbox
CAS RN: 74362-46-2

IMIDAZOLE-15N2

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  • Product code: starshine_CAS74362-46-2
  • Purity/Analytical Methods: >99.0%
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74362-46-2 / 1H-imidazole

Standard CAS: 74362-46-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
74362-46-2
Multi CAS
Yes
Molecular Formula
C3H4N2
Molecular Weight
68.080000
Exact Mass
68.037448
InChI
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
InChIKey
RAXXELZNTBOGNW-UHFFFAOYSA-N

Physical Properties

Melting Point
89.52 °C 90.5 °C 89 °C
Boiling Point
257 °C 268 °C
Density
Density: 1.0303 g/cu m at 101 °C Relative density (water = 1): 1.03
Physical Description
Liquid, Other Solid Solid; [Merck Index] Colorless to yellow solid with an amine-like odor; [OECD SIDS] White or light yellow crystals; Solid COLOURLESS-TO-YELLOW CRYSTALS WITH CHARACTERISTIC ODOUR.
Appearance
Monoclinic prisms from benzene Colorless crystals Colorless-yellow solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
5
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
18.59
TPSA
28.68

LogP / Solubility

WLOGP
0.41
MLOGP
0.34
XLogP3
-0.1
Consensus LogP
0.22
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

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