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CAS 106429-58-7 2H-Benzimidazol-2-one,1,3-dihydro-5-(hydroxymethyl)-(9CI) molecular structure lightbox
CAS RN: 106429-58-7

2H-Benzimidazol-2-one,1,3-dihydro-5-(hydroxymethyl)-(9CI)

  • Product code: SSC-008096
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 106429-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

106429-58-7 / 5-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one

5-(hydroxymethyl)-1H-benzo[d]imidazol-2(3H)-one | 5-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one | 2H-Benzimidazol-2-one,1,3-dihydro-5-(hydroxymethyl)-(9CI)

Standard CAS: 106429-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106429-58-7
Multi CAS
No
Molecular Formula
C8H8N2O2
Molecular Weight
164.160000
Exact Mass
164.058578
SMILES
C1=CC2=C(C=C1CO)NC(=O)N2
InChI
InChI=1S/C8H8N2O2/c11-4-5-1-2-6-7(3-5)10-8(12)9-6/h1-3,11H,4H2,(H2,9,10,12)
InChIKey
UBXKTZMRHQPCFZ-UHFFFAOYSA-N
Synonyms
5-(hydroxymethyl)-1H-benzo[d]imidazol-2(3H)-one 5-(hydroxymethyl)-1,3-dihydrobenzimidazol-2-one 2H-Benzimidazol-2-one,1,3-dihydro-5-(hydroxymethyl)-(9CI) 5-(Hydroxymethyl)benzimidazol-2(3H)-one SCHEMBL5312605

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
44.84
TPSA
68.88

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
-0.3
Consensus LogP
0.12
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47

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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