TL;DR: 4(3H)-Quinazolinone, 3-(o-(2-benzimidazolyl)phenyl)-6-iodo-2-phenyl- (CAS 76618-05-8) is a chemical compound with molecular formula C27H17IN4O and molecular weight 540.04474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(1H-benzimidazol-2-yl)phenyl]-6-iodo-2-phenylquinazolin-4-one
Also Known As: 4(3H)-Quinazolinone, 3-(o-(2-benzimidazolyl)phenyl)-6-iodo-2-phenyl-, 3-(o-(2-Benzimidazolyl)phenyl)-6-iodo-2-phenyl-4(3H)-quinazolinone, 2-(1-carboxy-1-phenylbut-1-en-2-yl)benzoic acid, 3-[2-(1H-benzimidazol-2-yl)phenyl]-6-iodo-2-phenylquinazolin-4(3H)-one, 3-[2-(1H-benzimidazol-2-yl)phenyl]-6-iodo-2-phenylquinazolin-4-one
| Molecular Formula | C27H17IN4O |
| Molecular Weight | 540.04474 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 540.04474 Da |
| Heavy Atoms | 33 |
| Complexity | 752.0 |
| SMILES | C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=CC=C4C5=NC6=CC=CC=C6N5 |
| InChIKey | RVOALXWXDRKAPQ-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that 4(3H)-Quinazolinone, 3-(o-(2-benzimidazolyl)phenyl)-6-iodo-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Quinazolinone, 3-(o-(2-benzimidazolyl)phenyl)-6-iodo-2-phenyl-. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-(o-(2-benzimidazolyl)phenyl)-6-iodo-2-phenyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4(3H)-Quinazolinone, 3-(o-(2-benzimidazolyl)phenyl)-6-iodo-2-phenyl- is 76618-05-8.
The molecular formula of 4(3H)-Quinazolinone, 3-(o-(2-benzimidazolyl)phenyl)-6-iodo-2-phenyl- is C27H17IN4O.
The molecular weight of 4(3H)-Quinazolinone, 3-(o-(2-benzimidazolyl)phenyl)-6-iodo-2-phenyl- is 540.04474 g/mol.
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