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CAS 27099-22-5 1H-Benzimidazole-2-acetonitrile,5-methyl-(9CI) molecular structure lightbox
CAS RN: 27099-22-5

1H-Benzimidazole-2-acetonitrile,5-methyl-(9CI)

  • Product code: SSC-125850
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 27099-22-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

27099-22-5 / 2-(6-methyl-1H-benzimidazol-2-yl)acetonitrile

Standard CAS: 27099-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27099-22-5
Multi CAS
No
Molecular Formula
C10H9N3
Molecular Weight
171.200000
Exact Mass
171.079647
SMILES
CC1=CC2=C(C=C1)N=C(N2)CC#N
InChI
InChI=1S/C10H9N3/c1-7-2-3-8-9(6-7)13-10(12-8)4-5-11/h2-3,6H,4H2,1H3,(H,12,13)
InChIKey
PDULDINSGIRDOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.15
TPSA
52.47

LogP / Solubility

WLOGP
1.94
MLOGP
1.7
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.39

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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