Ethyl 1-methyl-5-(4-phenylbutanamido)-1H-imidazole-4-carboxylate

HCID 69080278

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Basic information

CAS: 915029-96-8
Standard SMILES: CCOC(=O)c1ncn(C)c1NC(=O)CCCc1ccccc1
InChIKey: XPDOQWOFHBSOFU-UHFFFAOYSA-N
Molecular formula: C17H21N3O3
Average molar mass: 315.37 g/mol
Monoisotopic mass: 315.15829154

Names & identifiers

Preferred name: Ethyl 1-methyl-5-(4-phenylbutanamido)-1H-imidazole-4-carboxylate
IUPAC: ethyl 1-methyl-5-(4-phenylbutanoylamino)imidazole-4-carboxylate

Names & synonyms

SCHEMBL4529890DTXSID401150660Ethyl 1-methyl-5-(4-phenylbutanamido)-1H-imidazole-4-carboxylateEthyl 1-methyl-5-[(1-oxo-4-phenylbutyl)amino]-1H-imidazole-4-carboxylate915029-96-8

Database identifiers

CAS: 915029-96-8
PubChem CID: 69080278
DTXSID: DTXSID401150660

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 73.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 397

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