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CAS 182274-61-9 (4-(benzyloxy)phenyl)(1H-imidazol-1-yl)methanone, 97%(HPLC) molecular structure lightbox
CAS RN: 182274-61-9

(4-(benzyloxy)phenyl)(1H-imidazol-1-yl)methanone, 97%(HPLC)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINH926843
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182274-61-9 / imidazol-1-yl-(4-phenylmethoxyphenyl)methanone

Standard CAS: 182274-61-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182274-61-9
Multi CAS
No
Molecular Formula
C17H14N2O2
Molecular Weight
278.300000
Exact Mass
278.105528
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N3C=CN=C3
InChI
InChI=1S/C17H14N2O2/c20-17(19-11-10-18-13-19)15-6-8-16(9-7-15)21-12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKey
QRHZCMKOCLKZAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
79.17
TPSA
44.12

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
3
Consensus LogP
2.98
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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