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Home > Imidazoles > 111988-56-8
111988-56-8 | Cyanamide, [4,5-dihydro-1-(4-pyridinylmethyl)-1H-imidazol-2-yl]-
CAS No: 111988-56-8 Catalog No: AG0083S4 MDL No:
Product Description
Catalog Number:
AG0083S4
Chemical Name:
Cyanamide, [4,5-dihydro-1-(4-pyridinylmethyl)-1H-imidazol-2-yl]-
CAS Number:
111988-56-8
Molecular Formula:
C10H11N5
Molecular Weight:
201.2278
IUPAC Name:
[1-(pyridin-4-ylmethyl)-4,5-dihydroimidazol-2-yl]cyanamide
InChI:
InChI=1S/C10H11N5/c11-8-14-10-13-5-6-15(10)7-9-1-3-12-4-2-9/h1-4H,5-7H2,(H,13,14)
InChI Key:
VQFNRGYRPXDYQW-UHFFFAOYSA-N
SMILES:
N#CNC1=NCCN1Cc1ccncc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.233g/mol
Monoisotopic Mass:
201.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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