1-Methyl-4-benzimidazolecarboxylic Acid - CAS 672957-92-5
Catalog: |
BB033240 |
Product Name: |
1-Methyl-4-benzimidazolecarboxylic Acid |
CAS: |
672957-92-5 |
Synonyms: |
1-methyl-4-benzimidazolecarboxylic acid; 1-methylbenzimidazole-4-carboxylic acid |
IUPAC Name: | 1-methylbenzimidazole-4-carboxylic acid |
Description: | 1-Methyl-4-benzimidazolecarboxylic Acid (CAS# 672957-92-5) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | CN1C=NC2=C(C=CC=C21)C(=O)O |
InChI: | InChI=1S/C9H8N2O2/c1-11-5-10-8-6(9(12)13)3-2-4-7(8)11/h2-5H,1H3,(H,12,13) |
InChI Key: | KANGLPGGTDOWJO-UHFFFAOYSA-N |
LogP: | 1.27150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856178-A1 | Monoacylglycerol lipase modulators | 20180928 |
KR-20210069080-A | monoacylglycerol lipase modulator | 20180928 |
Complexity: | 220 |
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: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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