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88138-31-2 | Urea, N-ethyl-N'-[4-[[5-(2-methyl-1H-imidazol-1-yl)pentyl]oxy]phenyl]-
CAS No: 88138-31-2 Catalog No: AG004DGF MDL No:
Product Description
Catalog Number:
AG004DGF
Chemical Name:
Urea, N-ethyl-N'-[4-[[5-(2-methyl-1H-imidazol-1-yl)pentyl]oxy]phenyl]-
CAS Number:
88138-31-2
Molecular Formula:
C18H26N4O2
Molecular Weight:
330.4246
IUPAC Name:
1-ethyl-3-[4-[5-(2-methylimidazol-1-yl)pentoxy]phenyl]urea
InChI:
InChI=1S/C18H26N4O2/c1-3-19-18(23)21-16-7-9-17(10-8-16)24-14-6-4-5-12-22-13-11-20-15(22)2/h7-11,13H,3-6,12,14H2,1-2H3,(H2,19,21,23)
InChI Key:
KWHKEJNVJBBFPD-UHFFFAOYSA-N
SMILES:
CCNC(=O)Nc1ccc(cc1)OCCCCCn1ccnc1C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.206g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.432g/mol
Monoisotopic Mass:
330.206g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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