4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid - CAS 152628-03-0
Catalog: |
BB010804 |
Product Name: |
4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid |
CAS: |
152628-03-0 |
Synonyms: |
7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid; 7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid |
Application: |
1H-Benzimidazole-4-methyl-2-propyl-6-carboxylic Acid (cas# 152628-03-0) is a compound useful in organic synthesis. |
IUPAC Name: | 7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid |
Description: | 4-Methyl-2-propyl-6-benzimidazolecarboxylic Acid (CAS# 152628-03-0) is a compound useful in organic synthesis. |
Molecular Weight: | 218.25 |
Molecular Formula: | C12H14N2O2 |
Canonical SMILES: | CCCC1=NC2=C(C=C(C=C2N1)C(=O)O)C |
InChI: | InChI=1S/C12H14N2O2/c1-3-4-10-13-9-6-8(12(15)16)5-7(2)11(9)14-10/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16) |
InChI Key: | XWAJTVCEILFDGU-UHFFFAOYSA-N |
Boiling Point: | 491.8 °C at 760 mmHg |
Melting Point: | >286 °C |
Purity: | > 95 % |
Density: | 1.259 g/cm3 |
Appearance: | Pale yellow to tan powder |
MDL: | MFCD06656215 |
LogP: | 2.52200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113045501-A | Preparation method of telmisartan intermediate | 20210328 |
CN-112251770-A | Novel electrochemical preparation method of antihypertensive drug telmisartan intermediate | 20201014 |
CN-112251770-B | Novel electrochemical preparation method of antihypertensive drug telmisartan intermediate | 20201014 |
CN-111423382-A | Preparation method of telmisartan key intermediate | 20200403 |
CN-110698410-A | Preparation method of 2-n-propyl-4-methyl-6- (1' -methylbenzimidazole-2-yl) benzimidazole | 20191025 |
PMID | Publication Date | Title | Journal |
21581843 | 20090108 | 4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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