[email protected]
CAS 53525-55-6 N-METHYL-1H-IMIDAZOLE-5-CARBOXAMIDE, 97%(HPLC) molecular structure lightbox
CAS RN: 53525-55-6

N-METHYL-1H-IMIDAZOLE-5-CARBOXAMIDE, 97%(HPLC)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINN926673
GET A QUOTE

53525-55-6 / N-methyl-1H-imidazole-5-carboxamide

Standard CAS: 53525-55-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53525-55-6
Multi CAS
No
Molecular Formula
C5H7N3O
Molecular Weight
125.130000
Exact Mass
125.058912
InChI
InChI=1S/C5H7N3O/c1-6-5(9)4-2-7-3-8-4/h2-3H,1H3,(H,6,9)(H,7,8)
InChIKey
FLFMCBMWUDAGSD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
31.98
TPSA
57.78

LogP / Solubility

WLOGP
-0.23
MLOGP
-0.21
XLogP3
-0.3
Consensus LogP
-0.25
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
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)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us