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1164456-97-6 | (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(dimethylamino)prop-2-enenitrile
CAS No: 1164456-97-6 Catalog No: AG01FI2C MDL No:
Product Description
Catalog Number:
AG01FI2C
Chemical Name:
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(dimethylamino)prop-2-enenitrile
CAS Number:
1164456-97-6
Molecular Formula:
C12H12N4
Molecular Weight:
212.2505
IUPAC Name:
(E)-2-(1H-benzimidazol-2-yl)-3-(dimethylamino)prop-2-enenitrile
InChI:
InChI=1S/C12H12N4/c1-16(2)8-9(7-13)12-14-10-5-3-4-6-11(10)15-12/h3-6,8H,1-2H3,(H,14,15)/b9-8+
InChI Key:
GZORTPUDCQBPOH-CMDGGOBGSA-N
SMILES:
N#C/C(=C\N(C)C)/c1nc2c([nH]1)cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
212.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.256g/mol
Monoisotopic Mass:
212.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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