N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide

HCID 323693

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Basic information

CAS: 41004-16-4
Standard SMILES: CC(=O)Nc1ncc(CCCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1
InChIKey: MMEYHQVGVOMYSW-UHFFFAOYSA-N
Molecular formula: C13H15Br2N5O2
Average molar mass: 433.1 g/mol
Monoisotopic mass: 430.95925

Names & identifiers

Preferred name: N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
IUPAC: N-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide

Names & synonyms

41004-16-4N-Acetyl dihydrooroidinOROIDIN, N-ACETYLN-[3-(2-acetamido-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamideDTXSID30314581NSC286177NSC-286177

Database identifiers

CAS: 41004-16-4
PubChem CID: 323693
DTXSID: DTXSID30314581

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 103 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 412

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