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Home > Imidazoles > 72818-49-6
72818-49-6 | 1H-Indole, 3-(1H-imidazol-1-ylmethyl)-2-(2-methylphenyl)-
CAS No: 72818-49-6 Catalog No: AG005ELW MDL No:
Product Description
Catalog Number:
AG005ELW
Chemical Name:
1H-Indole, 3-(1H-imidazol-1-ylmethyl)-2-(2-methylphenyl)-
CAS Number:
72818-49-6
Molecular Formula:
C19H17N3
Molecular Weight:
287.3584
IUPAC Name:
3-(imidazol-1-ylmethyl)-2-(2-methylphenyl)-1H-indole
InChI:
InChI=1S/C19H17N3/c1-14-6-2-3-7-15(14)19-17(12-22-11-10-20-13-22)16-8-4-5-9-18(16)21-19/h2-11,13,21H,12H2,1H3
InChI Key:
RZWQPTYLHPZONW-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1[nH]c2c(c1Cn1cncc1)cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.366g/mol
Monoisotopic Mass:
287.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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