2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole

C10H6N4O3S — CID 10332908

IUPAC2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc2nc(-c3nccs3)n(O)c2c1
InChIInChI=1S/C10H6N4O3S/c15-13-8-5-6(14(16)17)1-2-7(8)12-9(13)10-11-3-4-18-10/h1-5,15H
InChIKeySYQCZCFSVQXWLK-UHFFFAOYSA-N
MW262.25 g/mol
LogP2.31
Rot. Bonds2

About 2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole

2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole (PubChem CID 10332908) has the molecular formula C10H6N4O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole
PubChem CID10332908
Molecular FormulaC10H6N4O3S
Molecular Weight262.25 g/mol
Exact Mass262.02
IUPAC Name2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole
SMILESO=[N+]([O-])c1ccc2nc(-c3nccs3)n(O)c2c1
InChIInChI=1S/C10H6N4O3S/c15-13-8-5-6(14(16)17)1-2-7(8)12-9(13)10-11-3-4-18-10/h1-5,15H
InChIKeySYQCZCFSVQXWLK-UHFFFAOYSA-N
XLogP2.31
TPSA94.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole
CID 59754587
1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
2-(4-chlorophenyl)-1-hydroxy-6-nitrobenzimidazole
CID 1476973
2-(2-bromophenyl)-1-hydroxy-6-nitrobenzimidazole
CID 59754361
1-hydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-6-nitrobenzimidazole
CID 11382629
1-hydroxy-6-nitro-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 11163755
1-hydroxy-2-(3-methoxy-4-methylphenyl)-6-nitrobenzimidazole
CID 59754393
1-hydroxy-6-nitro-2-[3-(trifluoromethoxy)phenyl]benzimidazole
CID 11405030
2-(6-nitro-4-phenylquinolin-2-yl)-1,3-thiazole
CID 166203216
4-hydroxy-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11718063
1-hydroxy-6-nitrobenzimidazole;hydrochloride
CID 14062559
2-[3-(1-hydroxy-6-nitrobenzimidazol-2-yl)-3a,7a-dihydroindol-1-yl]acetic acid
CID 59754372

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole?
The IUPAC name of 2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole (CID 10332908) is 2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole is O=[N+]([O-])c1ccc2nc(-c3nccs3)n(O)c2c1.
What is the InChIKey of 2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole?
The InChIKey is SYQCZCFSVQXWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O3S/c15-13-8-5-6(14(16)17)1-2-7(8)12-9(13)10-11-3-4-18-10/h1-5,15H.
What are the key properties of 2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole?
2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole has a molecular weight of 262.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-6-nitrobenzimidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 10332908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).