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CAS 2092907-94-1 4,4′-(1-methyl-1H-benzo[d]imidazole-4,7-diyl)dibenzaldehyde molecular structure lightbox
CAS RN: 2092907-94-1

4,4′-(1-methyl-1H-benzo[d]imidazole-4,7-diyl)dibenzaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251221 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINH887500
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2092907-94-1 / 4-[7-(4-formylphenyl)-1-methylbenzimidazol-4-yl]benzaldehyde

Standard CAS: 2092907-94-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2092907-94-1
Multi CAS
No
Molecular Formula
C22H16N2O2
Molecular Weight
340.400000
Exact Mass
340.121178
SMILES
CN1C=NC2=C(C=CC(=C21)C3=CC=C(C=C3)C=O)C4=CC=C(C=C4)C=O
InChI
InChI=1S/C22H16N2O2/c1-24-14-23-21-19(17-6-2-15(12-25)3-7-17)10-11-20(22(21)24)18-8-4-16(13-26)5-9-18/h2-14H,1H3
InChIKey
CUHIVQNQOVXTRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
102.36
TPSA
51.96

LogP / Solubility

WLOGP
4.53
MLOGP
4.01
XLogP3
3.6
Consensus LogP
4.05
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58

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
3

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