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160522-92-9 | Pyrimidine, 4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenyl]-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-
CAS No: 160522-92-9 Catalog No: AG001S03 MDL No:
Product Description
Catalog Number:
AG001S03
Chemical Name:
Pyrimidine, 4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenyl]-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-
CAS Number:
160522-92-9
Molecular Formula:
C23H22N6O
Molecular Weight:
398.4604
IUPAC Name:
4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenyl]-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyrimidine
InChI:
InChI=1S/C23H22N6O/c1-30-20-14-17(22-27-12-13-28-22)6-7-18(20)19-8-9-24-23(29-19)16-4-2-15(3-5-16)21-25-10-11-26-21/h2-9,14H,10-13H2,1H3,(H,25,26)(H,27,28)
InChI Key:
ZYGJQIRCRHCOID-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1c1ccnc(n1)c1ccc(cc1)C1=NCCN1)C1=NCCN1
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.186g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.47g/mol
Monoisotopic Mass:
398.186g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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