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CAS 24370-25-0 2-BENZIMIDAZOLYLUREA molecular structure lightbox
CAS RN: 24370-25-0

2-BENZIMIDAZOLYLUREA

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Batchno.20251114 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24370-25-0
  • Purity/Analytical Methods: >99.0%
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24370-25-0 / 1H-benzimidazol-2-ylurea

Standard CAS: 24370-25-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
24370-25-0
Multi CAS
No
Molecular Formula
C8H8N4O
Molecular Weight
176.180000
Exact Mass
176.069811
SMILES
C1=CC=C2C(=C1)NC(=N2)NC(=O)N
InChI
InChI=1S/C8H8N4O/c9-7(13)12-8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H4,9,10,11,12,13)
InChIKey
LNYZEFQMIURYEI-UHFFFAOYSA-N

Physical Properties

Melting Point
greater than 572 °F (NTP, 1992)
Physical Description
2-benzimidazolylurea is a beige solid. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
49.3
TPSA
83.8

LogP / Solubility

WLOGP
1.05
MLOGP
0.92
XLogP3
0.5
Consensus LogP
0.82
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

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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