2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide

C16H15N5O5 — CID 166593690

IUPAC2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide
SMILESCOc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1OCC(=O)NN
InChIInChI=1S/C16H15N5O5/c1-25-14-6-9(2-5-13(14)26-8-15(22)20-17)16-18-11-4-3-10(21(23)24)7-12(11)19-16/h2-7H,8,17H2,1H3,(H,18,19)(H,20,22)
InChIKeyBOEYSMAAKVFETG-UHFFFAOYSA-N
MW357.33 g/mol
LogP1.52
Rot. Bonds6

About 2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide

2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide (PubChem CID 166593690) has the molecular formula C16H15N5O5 and a molecular weight of 357.33 g/mol. Its IUPAC name is 2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide
PubChem CID166593690
Molecular FormulaC16H15N5O5
Molecular Weight357.33 g/mol
Exact Mass357.11
IUPAC Name2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide
SMILESCOc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1OCC(=O)NN
InChIInChI=1S/C16H15N5O5/c1-25-14-6-9(2-5-13(14)26-8-15(22)20-17)16-18-11-4-3-10(21(23)24)7-12(11)19-16/h2-7H,8,17H2,1H3,(H,18,19)(H,20,22)
InChIKeyBOEYSMAAKVFETG-UHFFFAOYSA-N
XLogP1.52
TPSA145.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-nitro-1H-benzimidazole
CID 110533146
2-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902915
2-(4-butoxy-3-methoxyphenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902943
2-methyl-4-(6-nitro-1H-benzimidazol-2-yl)aniline
CID 91686918
2-(4-nitrophenyl)-3H-benzimidazole-5-carbohydrazide
CID 91902909
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 168554153
2-(3-chloro-4-ethoxy-5-methoxyphenyl)-6-nitro-1H-benzimidazole
CID 110535997
dimethyl (E)-2-[4-(6-nitro-1H-benzimidazol-2-yl)anilino]but-2-enedioate
CID 168568283
2-(4-ethoxyphenyl)-6-nitro-1H-benzimidazole
CID 110539368
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168554991
2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzimidazole
CID 110538644
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide?
The IUPAC name of 2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide (CID 166593690) is 2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide.
What is the SMILES notation for 2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide?
The canonical SMILES for 2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide is COc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1OCC(=O)NN.
What is the InChIKey of 2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide?
The InChIKey is BOEYSMAAKVFETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O5/c1-25-14-6-9(2-5-13(14)26-8-15(22)20-17)16-18-11-4-3-10(21(23)24)7-12(11)19-16/h2-7H,8,17H2,1H3,(H,18,19)(H,20,22).
What are the key properties of 2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide?
2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide has a molecular weight of 357.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenoxy]acetohydrazide is sourced from PubChem (CID 166593690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).