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CAS 1201802-66-5 2-BROMO-5-(1-METHYL-2-(PYRIDIN-2-YL)-1H-IMIDAZOL-4-YL)PYRIDINE molecular structure lightbox
CAS RN: 1201802-66-5

2-BROMO-5-(1-METHYL-2-(PYRIDIN-2-YL)-1H-IMIDAZOL-4-YL)PYRIDINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 1g Out of stock 5-7 business days Inquiry
  • Product code: LINB926603
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1201802-66-5 / 2-bromo-5-(1-methyl-2-pyridin-2-ylimidazol-4-yl)pyridine

2-Bromo-5-(1-methyl-2-(pyridin-2-yl)-1H-imidazol-4-yl)pyridine | 2-bromo-5-(1-methyl-2-pyridin-2-ylimidazol-4-yl)pyridine | 2-Bromo-5-[1-methyl-2-(pyridin-2-yl)-1H-imidazol-4-yl]pyridine

Standard CAS: 1201802-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1201802-66-5
Multi CAS
No
Molecular Formula
C14H11BrN4
Molecular Weight
315.170000
Exact Mass
314.016710
SMILES
CN1C=C(N=C1C2=CC=CC=N2)C3=CN=C(C=C3)Br
InChI
InChI=1S/C14H11BrN4/c1-19-9-12(10-5-6-13(15)17-8-10)18-14(19)11-4-2-3-7-16-11/h2-9H,1H3
InChIKey
NUSTUJJELHBYCD-UHFFFAOYSA-N
Synonyms
2-Bromo-5-(1-methyl-2-(pyridin-2-yl)-1H-imidazol-4-yl)pyridine 2-bromo-5-(1-methyl-2-pyridin-2-ylimidazol-4-yl)pyridine 2-Bromo-5-[1-methyl-2-(pyridin-2-yl)-1H-imidazol-4-yl]pyridine SCHEMBL1302368 DTXSID30676732

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
17
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
77.37
TPSA
43.6

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
2.3
Consensus LogP
2.84
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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