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CAS 18107-02-3 1H-Benzimidazole,2-(2-pyrimidinyl)-(9CI) molecular structure lightbox
CAS RN: 18107-02-3

1H-Benzimidazole,2-(2-pyrimidinyl)-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260302 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18107-02-3
  • Purity/Analytical Methods: >99.0%
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18107-02-3 / 2-pyrimidin-2-yl-1H-benzimidazole

Standard CAS: 18107-02-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18107-02-3
Multi CAS
No
Molecular Formula
C11H8N4
Molecular Weight
196.210000
Exact Mass
196.074896
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=NC=CC=N3
InChI
InChI=1S/C11H8N4/c1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10/h1-7H,(H,14,15)
InChIKey
WTZRQYJHRXQWTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.12
TPSA
54.46

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.7
Consensus LogP
1.83
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

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

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