1-(5-nitrothiophen-2-yl)benzimidazole

C11H7N3O2S — CID 67862220

IUPAC1-(5-nitrothiophen-2-yl)benzimidazole
SMILESO=[N+]([O-])c1ccc(-n2cnc3ccccc32)s1
InChIInChI=1S/C11H7N3O2S/c15-14(16)11-6-5-10(17-11)13-7-12-8-3-1-2-4-9(8)13/h1-7H
InChIKeyZHEPNNDYHVPUHE-UHFFFAOYSA-N
MW245.26 g/mol
LogP3.00
Rot. Bonds2

About 1-(5-nitrothiophen-2-yl)benzimidazole

1-(5-nitrothiophen-2-yl)benzimidazole (PubChem CID 67862220) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 1-(5-nitrothiophen-2-yl)benzimidazole.

Molecular Properties

Compound Name1-(5-nitrothiophen-2-yl)benzimidazole
PubChem CID67862220
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name1-(5-nitrothiophen-2-yl)benzimidazole
SMILESO=[N+]([O-])c1ccc(-n2cnc3ccccc32)s1
InChIInChI=1S/C11H7N3O2S/c15-14(16)11-6-5-10(17-11)13-7-12-8-3-1-2-4-9(8)13/h1-7H
InChIKeyZHEPNNDYHVPUHE-UHFFFAOYSA-N
XLogP3.00
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 58284917
4-(benzimidazol-1-yl)-N-[1-(5-nitrothiophen-2-yl)ethyl]pyrimidin-2-amine
CID 18375929
2-(benzimidazol-1-yl)-4-(2-nitrophenyl)-1,3-thiazole
CID 67557208
1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole
CID 171782138
1-(2,6-difluoro-4-nitrophenyl)benzimidazole
CID 103828373
5-(benzimidazol-1-yl)-2-nitroaniline
CID 10354943
1-(1-benzothiophen-2-yl)benzimidazole
CID 90680843
1-[5-(benzimidazol-1-yl)thiophen-2-yl]pentan-1-one
CID 58284825
6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile
CID 103473415
1-(3-ethoxy-4-nitrophenyl)benzimidazole
CID 115885942
1-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)benzimidazole
CID 22534110
1-[4-(2-nitroprop-1-enyl)phenyl]benzimidazole
CID 54112099

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrothiophen-2-yl)benzimidazole?
The IUPAC name of 1-(5-nitrothiophen-2-yl)benzimidazole (CID 67862220) is 1-(5-nitrothiophen-2-yl)benzimidazole.
What is the SMILES notation for 1-(5-nitrothiophen-2-yl)benzimidazole?
The canonical SMILES for 1-(5-nitrothiophen-2-yl)benzimidazole is O=[N+]([O-])c1ccc(-n2cnc3ccccc32)s1.
What is the InChIKey of 1-(5-nitrothiophen-2-yl)benzimidazole?
The InChIKey is ZHEPNNDYHVPUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-14(16)11-6-5-10(17-11)13-7-12-8-3-1-2-4-9(8)13/h1-7H.
What are the key properties of 1-(5-nitrothiophen-2-yl)benzimidazole?
1-(5-nitrothiophen-2-yl)benzimidazole has a molecular weight of 245.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrothiophen-2-yl)benzimidazole is sourced from PubChem (CID 67862220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).