| CAS Number | 1417359-95-5 |
| Catalog Number | AG01FUU5(AGN-PC-3H60GC) |
| Chemical Name | N-[4-(1H-imidazol-2-yl)phenyl]cyclopropanecarboxamide |
| IUPAC Name | N-[4-(1H-imidazol-2-yl)phenyl]cyclopropanecarboxamide |
| InChI | InChI=1S/C13H13N3O/c17-13(10-1-2-10)16-11-5-3-9(4-6-11)12-14-7-8-15-12/h3-8,10H,1-2H2,(H,14,15)(H,16,17) |
| InChI Key | DWUJBVCHEFYQMO-UHFFFAOYSA-N |
| MDL Number | MFCD32202822 |
| Molecular Formula | C13H13N3O |
| Molecular Weight | 227.2618 |
| SMILES | N1C(=NC=C1)C1=CC=C(C=C1)NC(=O)C1CC1 |
| Synonyms | N-(4-(1H-Imidazol-2-yl)phenyl)cyclopropanecarboxamide,
N-[4-(1H-IMIDAZOL-2-YL)PHENYL]CYCLOPROPANECARBOXAMIDE,
ZINC74829946,
AKOS027639111,
1417359-95-5,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.105862g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.26g/mol |
| Monoisotopic Mass | 227.105862g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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