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122001-51-8 | 1H-Imidazole, 1-[(4-methylphenyl)[4-(1H-pyrrol-1-yl)phenyl]methyl]-
CAS No: 122001-51-8 Catalog No: AG0016KK MDL No:
Product Description
Catalog Number:
AG0016KK
Chemical Name:
1H-Imidazole, 1-[(4-methylphenyl)[4-(1H-pyrrol-1-yl)phenyl]methyl]-
CAS Number:
122001-51-8
Molecular Formula:
C21H19N3
Molecular Weight:
313.3957
IUPAC Name:
1-[(4-methylphenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
InChI:
InChI=1S/C21H19N3/c1-17-4-6-18(7-5-17)21(24-15-12-22-16-24)19-8-10-20(11-9-19)23-13-2-3-14-23/h2-16,21H,1H3
InChI Key:
BUXUQZIAKIIPQO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(n1cncc1)c1ccc(cc1)n1cccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.404g/mol
Monoisotopic Mass:
313.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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