2-(Cyanomethyl)-5,6-dichlorobenzimidazole - CAS 127192-16-9
Catalog: |
BB006741 |
Product Name: |
2-(Cyanomethyl)-5,6-dichlorobenzimidazole |
CAS: |
127192-16-9 |
Synonyms: |
2-(5,6-dichloro-1H-benzimidazol-2-yl)acetonitrile; 2-(5,6-dichloro-1H-benzimidazol-2-yl)acetonitrile |
IUPAC Name: | 2-(5,6-dichloro-1H-benzimidazol-2-yl)acetonitrile |
Description: | 2-(Cyanomethyl)-5,6-dichlorobenzimidazole (CAS# 127192-16-9 ) is a useful research chemical. |
Molecular Weight: | 226.06 |
Molecular Formula: | C9H5Cl2N3 |
Canonical SMILES: | C1=C2C(=CC(=C1Cl)Cl)N=C(N2)CC#N |
InChI: | InChI=1S/C9H5Cl2N3/c10-5-3-7-8(4-6(5)11)14-9(13-7)1-2-12/h3-4H,1H2,(H,13,14) |
InChI Key: | KXVWVUXOCWRYFS-UHFFFAOYSA-N |
LogP: | 2.93578 |
Publication Number | Title | Priority Date |
WO-2018191146-A1 | Heteroaryl rheb inhibitors and uses thereof | 20170410 |
US-2021238165-A1 | Heteroaryl rheb inhibitors and uses thereof | 20170410 |
CA-2474850-A1 | Imidazo[1,2-a]pyridine derivatives | 20020131 |
EP-1479681-A1 | IMIDAZO(1,2-a)PYRIDINE DERIVATIVE | 20020131 |
JP-WO2003064422-A1 | Imidazo [1,2-a] pyridine derivatives | 20020131 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.9860526 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.9860526 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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