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CAS 1261268-95-4 N-[4-(5-IsobutyraMido-1H-benzoiMidazol-2-yl)phenyl]benzaMide molecular structure lightbox
CAS RN: 1261268-95-4

N-[4-(5-IsobutyraMido-1H-benzoiMidazol-2-yl)phenyl]benzaMide

  • Product code: SSC-032428
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1261268-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry

1261268-95-4 / N-[4-[6-(2-methylpropanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide

Standard CAS: 1261268-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261268-95-4
Multi CAS
No
Molecular Formula
C24H22N4O2
Molecular Weight
398.500000
Exact Mass
398.174276
SMILES
CC(C)C(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H22N4O2/c1-15(2)23(29)26-19-12-13-20-21(14-19)28-22(27-20)16-8-10-18(11-9-16)25-24(30)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,25,30)(H,26,29)(H,27,28)
InChIKey
MHCCJNLNUNATSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
119.39
TPSA
86.88

LogP / Solubility

WLOGP
5.08
MLOGP
4.49
XLogP3
4.2
Consensus LogP
4.59
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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