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Home > Imidazoles > 478040-38-9
478040-38-9 | 4-benzoyl-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS No: 478040-38-9 Catalog No: AG00IOSV MDL No:MFCD02186425
Product Description
Catalog Number:
AG00IOSV
Chemical Name:
4-benzoyl-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CAS Number:
478040-38-9
Molecular Formula:
C18H18N4O2
Molecular Weight:
322.3611
MDL Number:
MFCD02186425
IUPAC Name:
4-benzoyl-N-(3-imidazol-1-ylpropyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C18H18N4O2/c23-17(14-5-2-1-3-6-14)15-11-16(21-12-15)18(24)20-7-4-9-22-10-8-19-13-22/h1-3,5-6,8,10-13,21H,4,7,9H2,(H,20,24)
InChI Key:
VTNQGJWQDGOEIN-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)C(=O)c1ccccc1)NCCCn1cncc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.368g/mol
Monoisotopic Mass:
322.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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