N-1H-Imidazol-2-yl-formamide - CAS 229343-10-6
Catalog: |
BB060786 |
Product Name: |
N-1H-Imidazol-2-yl-formamide |
CAS: |
229343-10-6 |
Synonyms: |
N-(1H-Imidazol-2-yl)acetamide |
IUPAC Name: | N-(1H-imidazol-2-yl)formamide |
Description: | N-1H-Imidazol-2-yl-formamide is used as a reagent in the synthesis of N-pyridinyl-2-[(thienylcarbonyl)amino]benzamides and its analogs as anticoagulants. |
Molecular Weight: | 111.1 |
Molecular Formula: | C4H5N3O |
Canonical SMILES: | C1=CN=C(N1)NC=O |
InChI: | InChI=1S/C4H5N3O/c8-3-7-4-5-1-2-6-4/h1-3H,(H2,5,6,7,8) |
InChI Key: | SMXZQOMVCREYNY-UHFFFAOYSA-N |
References: | Arnaiz, D.O., et al. U.S. US 6140351 A 20001031. Oct 31, 2000. |
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 |
Publication Number | Title | Priority Date |
TW-201808942-A | Substituted 2-heterocyclic imidazolylmethanthamide as an insecticide | 20160810 |
JP-6810988-B2 | New ferroportin inhibitor | 20151023 |
US-8772277-B2 | Nitrogen-containing heterocyclic compound | 20110804 |
EP-2530078-A1 | Thiazole derivative | 20100127 |
EP-2450352-A1 | Prophylactic or therapeutic agent for cancer | 20090804 |
US-2012196864-A1 | Prophylactic or therapeutic agent for cancer | 20090804 |
US-2013040951-A9 | Prophylactic or therapeutic agent for cancer | 20090804 |
US-2011046169-A1 | Fused heterocyclic derivatives and use thereof | 20080508 |
EP-2269990-A1 | Heterocyclic compound | 20080325 |
US-2011118236-A1 | Heterocyclic compound | 20080325 |
PMID | Publication Date | Title | Journal |
17912246 | 20071022 | Pemetrexed pharmacokinetics and pharmacodynamics in a phase I/II study of doublet chemotherapy with vinorelbine: implications for further optimisation of pemetrexed schedules | British journal of cancer |
Complexity: | 85.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.043261792 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.043261792 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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