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130740-21-5 | 1H-Imidazole-4-carboxylic acid, 5-phenyl-1-(2-phenylethyl)-, methyl ester
CAS No: 130740-21-5 Catalog No: AG000UWZ MDL No:
Product Description
Catalog Number:
AG000UWZ
Chemical Name:
1H-Imidazole-4-carboxylic acid, 5-phenyl-1-(2-phenylethyl)-, methyl ester
CAS Number:
130740-21-5
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
IUPAC Name:
methyl 5-phenyl-1-(2-phenylethyl)imidazole-4-carboxylate
InChI:
InChI=1S/C19H18N2O2/c1-23-19(22)17-18(16-10-6-3-7-11-16)21(14-20-17)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChI Key:
INLFIIJYRLWWHH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncn(c1c1ccccc1)CCc1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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