![CAS 1426585-80-9 1,3-di(naphthalen-1-yl)-1H-benzo[d]imidazol-3-ium chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1426585-80-9.gif)
CAS RN: 1426585-80-9
1,3-di(naphthalen-1-yl)-1H-benzo[d]imidazol-3-ium chloride
- Product code: SSC-053475
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
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1426585-80-9 / 1,3-dinaphthalen-1-ylbenzimidazol-3-ium chloride
Basic Information
CAS
1426585-80-9
Multi CAS
No
Molecular Formula
C27H19ClN2
Molecular Weight
406.900000
Exact Mass
406.123676
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C=[N+](C4=CC=CC=C43)C5=CC=CC6=CC=CC=C65.[Cl-]
InChI
InChI=1S/C27H19N2.ClH/c1-3-13-22-20(9-1)11-7-17-24(22)28-19-29(27-16-6-5-15-26(27)28)25-18-8-12-21-10-2-4-14-23(21)25;/h1-19H;1H/q+1;/p-1
InChIKey
JJINLACUMVLVKD-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
29
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
119.82
TPSA
8.81
LogP / Solubility
WLOGP
3.22
MLOGP
2.86
XLogP3
3.22
Consensus LogP
3.1
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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