Cas no 6752-98-3 (2-(4-amino-1,2,5-oxadiazol-3(2H)-ylidene)-1-(3,4-dichlorobenzyl)-2H-benzimidazol-1-ium)
6752-98-3 structure
Product Name:2-(4-amino-1,2,5-oxadiazol-3(2H)-ylidene)-1-(3,4-dichlorobenzyl)-2H-benzimidazol-1-ium
CAS No:6752-98-3
MF:C16H12Cl2N5O
MW:361.205380439758
CID:1717242
PubChem ID:5221290
Update Time:2025-04-21
2-(4-amino-1,2,5-oxadiazol-3(2H)-ylidene)-1-(3,4-dichlorobenzyl)-2H-benzimidazol-1-ium Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-amino-1,2,5-oxadiazol-3(2H)-ylidene)-1-(3,4-dichlorobenzyl)-2H-benzimidazol-1-ium
- 4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-1-ium-2-ylidene]-1,2,5-oxadiazol-3-amine
- AC1OBJIY
- 6752-98-3
- DTXSID70425761
-
- Inchi： 1S/C16H11Cl2N5O/c17-10-6-5-9(7-11(10)18)8-23-13-4-2-1-3-12(13)20-16(23)14-15(19)22-24-21-14/h1-7H,8H2,(H2,19,22)/p+1
- InChI Key： VHBPIHGCMKHKLE-UHFFFAOYSA-O
- SMILES： ClC1=C(C=CC(=C1)C[N+]1=C(C2C(N)=NON=2)NC2C=CC=CC1=2)Cl
Computed Properties
- Exact Mass: 360.04216
- Monoisotopic Mass: 360.0418904g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 445
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 84.6?2
Experimental Properties
- PSA: 75.01
2-(4-amino-1,2,5-oxadiazol-3(2H)-ylidene)-1-(3,4-dichlorobenzyl)-2H-benzimidazol-1-ium Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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