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135745-47-0 | Urea, N-[4-(1H-imidazol-4-yl)phenyl]-N'-(1-methylethyl)-
CAS No: 135745-47-0 Catalog No: AG0072HD MDL No:
Product Description
Catalog Number:
AG0072HD
Chemical Name:
Urea, N-[4-(1H-imidazol-4-yl)phenyl]-N'-(1-methylethyl)-
CAS Number:
135745-47-0
Molecular Formula:
C13H16N4O
Molecular Weight:
244.2923
IUPAC Name:
1-[4-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylurea
InChI:
InChI=1S/C13H16N4O/c1-9(2)16-13(18)17-11-5-3-10(4-6-11)12-7-14-8-15-12/h3-9H,1-2H3,(H,14,15)(H2,16,17,18)
InChI Key:
VFXKMLUWJQORFX-UHFFFAOYSA-N
SMILES:
CC(NC(=O)Nc1ccc(cc1)c1nc[nH]c1)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.298g/mol
Monoisotopic Mass:
244.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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