(4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate

HCID 367178

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Basic information

CAS: 111210-05-0
Standard SMILES: O=C(Nc1ccccc1)OCc1nc2c([nH]1)C(=O)C=CC2=O
InChIKey: ISLJYPPXVQBTQP-UHFFFAOYSA-N
Molecular formula: C15H11N3O4
Average molar mass: 297.26 g/mol
Monoisotopic mass: 297.07495584

Names & identifiers

Preferred name: (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate
IUPAC: (4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate

Names & synonyms

NSC636673(4,7-dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate111210-05-0CHEMBL540440DTXSID10327179NSC-636673NCI60_012161(4,7-Dioxo-4,7-dihydro-1H-1,3-benzimidazol-2-yl)methyl phenylcarbamateCarbamic acid, (4,7-dihydro-4,7-dioxo-1H-benzimidazol-2-yl)methyl esterCarbamic acid, phenyl-, (4,7-dihydro-4,7-dioxo-1H-benzimidazol-2-yl)methyl ester

Database identifiers

CAS: 111210-05-0
PubChem CID: 367178
DTXSID: DTXSID10327179
ChEMBL: CHEMBL540440

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 499

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