Methyl 1-Methylbenzimidazole-5-carboxylate - CAS 131020-36-5
Catalog: |
BB007225 |
Product Name: |
Methyl 1-Methylbenzimidazole-5-carboxylate |
CAS: |
131020-36-5 |
Synonyms: |
1-methyl-5-benzimidazolecarboxylic acid methyl ester; methyl 1-methylbenzimidazole-5-carboxylate |
IUPAC Name: | methyl 1-methylbenzimidazole-5-carboxylate |
Description: | Methyl 1-Methylbenzimidazole-5-carboxylate (CAS# 131020-36-5) is a useful reagent for preparation of hydroxytryptamine receptor antagonist. |
Molecular Weight: | 190.20 |
Molecular Formula: | C10H10N2O2 |
Canonical SMILES: | CN1C=NC2=C1C=CC(=C2)C(=O)OC |
InChI: | InChI=1S/C10H10N2O2/c1-12-6-11-8-5-7(10(13)14-2)3-4-9(8)12/h3-6H,1-2H3 |
InChI Key: | HBYFGEOBNHODCG-UHFFFAOYSA-N |
Boiling Point: | 334.1 ℃ at 760 mmHg |
Density: | 1.23 g/cm3 |
MDL: | MFCD04492113 |
LogP: | 1.35990 |
Publication Number | Title | Priority Date |
CN-110016054-A | The ion monomer of phosphorus-nitrogen containing benzheterocycle structure, with its fire-retardant copolymerization ester type ionomer and their preparation method and application | 20190315 |
TW-202019411-A | Substituted benzimidazole as PAD4 inhibitor | 20180808 |
TW-202019415-A | Indole and azaindole inhibitors of PAD enzyme | 20180808 |
WO-2019020981-A1 | PYRAZOLE, ISOTHIAZOLE AND ISOXAZOLE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES | 20170724 |
TW-201706263-A | Compound | 20150521 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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