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Home > Imidazoles > 769170-81-2
769170-81-2 | 1H-Imidazole, 1-[4-(1H-imidazol-1-ylmethyl)phenyl]-
CAS No: 769170-81-2 Catalog No: AG008OJB MDL No:
Product Description
Catalog Number:
AG008OJB
Chemical Name:
1H-Imidazole, 1-[4-(1H-imidazol-1-ylmethyl)phenyl]-
CAS Number:
769170-81-2
Molecular Formula:
C13H12N4
Molecular Weight:
224.2612
IUPAC Name:
1-[4-(imidazol-1-ylmethyl)phenyl]imidazole
InChI:
InChI=1S/C13H12N4/c1-3-13(17-8-6-15-11-17)4-2-12(1)9-16-7-5-14-10-16/h1-8,10-11H,9H2
InChI Key:
YCHCGNVDQSCYMS-UHFFFAOYSA-N
SMILES:
c1ncn(c1)Cc1ccc(cc1)n1cncc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.267g/mol
Monoisotopic Mass:
224.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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