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Home > Imidazoles > 478249-32-0
478249-32-0 | N-[3-(1H-imidazol-1-yl)propyl]-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CAS No: 478249-32-0 Catalog No: AG00IW3O MDL No:MFCD02571495
Product Description
Catalog Number:
AG00IW3O
Chemical Name:
N-[3-(1H-imidazol-1-yl)propyl]-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CAS Number:
478249-32-0
Molecular Formula:
C19H20N4O2
Molecular Weight:
336.3877
MDL Number:
MFCD02571495
IUPAC Name:
N-(3-imidazol-1-ylpropyl)-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C19H20N4O2/c24-18(11-15-5-2-1-3-6-15)16-12-17(22-13-16)19(25)21-7-4-9-23-10-8-20-14-23/h1-3,5-6,8,10,12-14,22H,4,7,9,11H2,(H,21,25)
InChI Key:
FNHRIDYRMMOAOU-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)C(=O)Cc1ccccc1)NCCCn1cncc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.159g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.395g/mol
Monoisotopic Mass:
336.159g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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