1,3-Dihydro-1-(4-pyridinyl)-2H-benzimidazol-2-one - CAS 110763-56-9
Catalog: |
BB066431 |
Product Name: |
1,3-Dihydro-1-(4-pyridinyl)-2H-benzimidazol-2-one |
CAS: |
110763-56-9 |
Synonyms: |
2H- Benzimidazol- 2- one, 1, 3- dihydro- 1- (4- pyridinyl) ; 1-(Pyridin-4-yl)-1H-1,3-benzodiazol-2-ol; 1-(Pyridin-4-yl)-1H-benzo[d]imidazol-2(3H)-one |
IUPAC Name: | 3-pyridin-4-yl-1H-benzimidazol-2-one |
Description: | 1,3-Dihydro-1-(4-pyridinyl)-2H-benzimidazol-2-one may be useful in the preparation of fused cyclic urea derivatives as CRHR2 antagonists. |
Molecular Weight: | 211.22 |
Molecular Formula: | C12H9N3O |
Canonical SMILES: | C1=CC=C2C(=C1)NC(=O)N2C3=CC=NC=C3 |
InChI: | InChI=1S/C12H9N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-8H,(H,14,16) |
InChI Key: | UVWOQPKLEXKDIE-UHFFFAOYSA-N |
References: | Ohmi, M., et al. PCT Int. Appl., WO 2019198692, 519pp. (2019). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.074561919 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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