1-(4-bromophenyl)-2-methyl-1H-naphth(2,3-d)imidazole-4,9-dione

HCID 229013

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Basic information

CAS: 93657-41-1
Standard SMILES: Cc1nc2c(n1-c1ccc(Br)cc1)C(=O)c1ccccc1C2=O
InChIKey: APVKJXLEZCSCCT-UHFFFAOYSA-N
Molecular formula: C18H11BrN2O2
Average molar mass: 367.2 g/mol
Monoisotopic mass: 366.00039

Overview

structure given in first source

Names & identifiers

Preferred name: 1-(4-bromophenyl)-2-methyl-1H-naphth(2,3-d)imidazole-4,9-dione
IUPAC: 3-(4-bromophenyl)-2-methylbenzo[f]benzimidazole-4,9-dione

Names & synonyms

RefChem:744251-BNID1-(4-bromophenyl)-2-methyl-1H-naphth(2,3-d)imidazole-4,9-dione93657-41-1QUZ9ZL4FJE1-(4-Bromophenyl)-2-methyl-1H-naphtho(2,3-d)imidazole-4,9-dioneUNII-QUZ9ZL4FJENSC22348NSC 22348NSC-223481-(4-Bromophenyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dioneSCHEMBL6304983

Show more names

CHEMBL1973303DTXSID40239498NCI60_0018441H-Naphth[2,9-dione, 1-(4-bromophenyl)-2-methyl-1H-Naphth[2,9-dione, 1-(p-bromophenyl)- 2-methyl-3-(4-bromophenyl)-2-methyl-benzo[f]benzimidazole-4,9-dione1H-NAPHTH(2,3-D)IMIDAZOLE-4,9-DIONE, 1-(4-BROMOPHENYL)-2-METHYL-1H-NAPHTH(2,3-D)IMIDAZOLE-4,9-DIONE, 1-(P-BROMOPHENYL)-2-METHYL-

Database identifiers

CAS: 93657-41-1
PubChem CID: 229013
DTXSID: DTXSID40239498
ChEMBL: CHEMBL1973303
UNII: QUZ9ZL4FJE
Nikkaji: J662.253D

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 52 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 23
Formal charge: 0
Complexity: 503

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