BRN 5643198

3-[4-(1H-benzimidazol-2-yl)phenyl]-6,8-dibromo-2-methylquinazolin-4-one

CAS: 76618-12-7

Molecular Formula	`C22H14Br2N4O`
Molecular Weight	510.2 g/mol
LogP	5.0
Topological Polar Surface Area	61.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	509.9514
Heavy Atoms	29
Complexity	665.0

Chemical Identifiers

CAS Number	76618-12-7
SMILES	`CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=C(C=C3)C4=NC5=CC=CC=C5N4`
InChIKey	`ZAIRXOYJBQNJBR-UHFFFAOYSA-N`

📖 Product Overview

BRN 5643198 (CAS: 76618-12-7) is a chemical compound with molecular formula C22H14Br2N4O and molecular weight 510.2 g/mol. Its IUPAC systematic name is 3-[4-(1H-benzimidazol-2-yl)phenyl]-6,8-dibromo-2-methylquinazolin-4-one. LogP 5.0 Topological Polar Surface Area 61.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 509.9514 Heavy Atoms 29 Complexity 665.0 InChI Key: ZAIRXOYJBQNJBR-UHFFFAOYSA-N. SMILES: CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=C(C=C3)C4=NC5=CC=CC=C5N4.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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