![CAS 1021144-32-0 4-(2-methyl-1H-benzo[d]imidazol-1-yl)benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1021144-32-0.gif)
CAS RN: 1021144-32-0
4-(2-methyl-1H-benzo[d]imidazol-1-yl)benzoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260427 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1021144-32-0
- Purity/Analytical Methods: >99.0%
1021144-32-0 / 4-(2-methylbenzimidazol-1-yl)benzoic acid
4-(2-methyl-1H-benzo[d]imidazol-1-yl)benzoic acid | 4-(2-METHYLBENZIMIDAZOL-1-YL)BENZOIC ACID | 4-(2-methyl-1H-benzo[d]imidazol-1-yl)benzoicacid
Basic Information
CAS
1021144-32-0
Multi CAS
Yes
Molecular Formula
C15H12N2O2
Molecular Weight
252.270000
Exact Mass
252.089878
SMILES
CC1=NC2=CC=CC=C2N1C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H12N2O2/c1-10-16-13-4-2-3-5-14(13)17(10)12-8-6-11(7-9-12)15(18)19/h2-9H,1H3,(H,18,19)
InChIKey
WJBFLMFRFMTUMZ-UHFFFAOYSA-N
Synonyms
4-(2-methyl-1H-benzo[d]imidazol-1-yl)benzoic acid
4-(2-METHYLBENZIMIDAZOL-1-YL)BENZOIC ACID
4-(2-methyl-1H-benzo[d]imidazol-1-yl)benzoicacid
Benzoic acid, 4-(2-methyl-1H-benzimidazol-1-yl)-
MFCD13810991
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.77
TPSA
55.12
LogP / Solubility
WLOGP
3.03
MLOGP
2.67
XLogP3
3
Consensus LogP
2.9
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1021176-69-1 5-[BIS(CYCLOHEXYL)PHOSPHINO]-1′,3′,5′-TRIPHENYL-1,4′-BI-1H-PYRAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1021176-69-1.gif)
