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CAS 120-03-6 2-(4-METHYLPHENYL)-1H-BENZIMIDAZOLE molecular structure lightbox
CAS RN: 120-03-6

2-(4-METHYLPHENYL)-1H-BENZIMIDAZOLE

  • Product code: SSC-020769
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

120-03-6 / 2-(4-methylphenyl)-1H-benzimidazole

2-p-Tolyl-1H-benzoimidazole | DTXSID70352407 | RefChem:1064061

Standard CAS: 120-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120-03-6
Multi CAS
Yes
Molecular Formula
C14H12N2
Molecular Weight
208.260000
Exact Mass
208.100048
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H12N2/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3,(H,15,16)
InChIKey
YJSWQFYMPODDTQ-UHFFFAOYSA-N
Synonyms
2-p-Tolyl-1H-benzoimidazole DTXSID70352407 RefChem:1064061 DTXCID50303472 2-(4-methylphenyl)-1H-benzimidazole

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.27
TPSA
28.68

LogP / Solubility

WLOGP
3.54
MLOGP
3.11
XLogP3
3.6
Consensus LogP
3.42
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-1.48

Drug-likeness / Medicinal Chemistry

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

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