Methyl Benzimidazole-4-carboxylate - CAS 37619-25-3
Catalog: |
BB023364 |
Product Name: |
Methyl Benzimidazole-4-carboxylate |
CAS: |
37619-25-3 |
Synonyms: |
1H-benzimidazole-4-carboxylic acid methyl ester; methyl 1H-benzimidazole-4-carboxylate |
IUPAC Name: | methyl 1H-benzimidazole-4-carboxylate |
Description: | Methyl Benzimidazole-4-carboxylate (CAS# 37619-25-3) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | COC(=O)C1=C2C(=CC=C1)NC=N2 |
InChI: | InChI=1S/C9H8N2O2/c1-13-9(12)6-3-2-4-7-8(6)11-5-10-7/h2-5H,1H3,(H,10,11) |
InChI Key: | UZMYAXZLWVFGBD-UHFFFAOYSA-N |
Boiling Point: | 416.2 °C at 760 mmHg |
Density: | 1.324 g/cm3 |
LogP: | 1.34950 |
Publication Number | Title | Priority Date |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
EP-3814330-A1 | Immunomodulatory compounds | 20180629 |
EP-3262041-A1 | Indazolyl thiadiazolamines and related compounds for inhibition of rho-associated protein kinase and the treatment of disease | 20150227 |
US-10112935-B2 | Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease | 20150227 |
US-2018093978-A1 | Indazolyl thiadiazolamines and related compounds for inhibition of rho-associated protein kinase and the treatment of disease | 20150227 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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