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Home > Imidazoles > 89597-93-3
89597-93-3 | Urea, N-(5-benzoyl-1H-benzimidazol-2-yl)-N'-(4-nitrophenyl)-
CAS No: 89597-93-3 Catalog No: AG003XJE MDL No:
Product Description
Catalog Number:
AG003XJE
Chemical Name:
Urea, N-(5-benzoyl-1H-benzimidazol-2-yl)-N'-(4-nitrophenyl)-
CAS Number:
89597-93-3
Molecular Formula:
C21H15N5O4
Molecular Weight:
401.3749
IUPAC Name:
1-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-nitrophenyl)urea
InChI:
InChI=1S/C21H15N5O4/c27-19(13-4-2-1-3-5-13)14-6-11-17-18(12-14)24-20(23-17)25-21(28)22-15-7-9-16(10-8-15)26(29)30/h1-12H,(H3,22,23,24,25,28)
InChI Key:
NGGIJSZGGAZLOF-UHFFFAOYSA-N
SMILES:
O=C(Nc1nc2c([nH]1)ccc(c2)C(=O)c1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.112g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
401.382g/mol
Monoisotopic Mass:
401.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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