2-ethenyl-4-nitro-1H-benzimidazole

C9H7N3O2 — CID 11127049

IUPAC2-ethenyl-4-nitro-1H-benzimidazole
SMILESC=Cc1nc2c([N+](=O)[O-])cccc2[nH]1
InChIInChI=1S/C9H7N3O2/c1-2-8-10-6-4-3-5-7(12(13)14)9(6)11-8/h2-5H,1H2,(H,10,11)
InChIKeyAUABWYQFMPXBDG-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.11
Rot. Bonds2

About 2-ethenyl-4-nitro-1H-benzimidazole

2-ethenyl-4-nitro-1H-benzimidazole (PubChem CID 11127049) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-ethenyl-4-nitro-1H-benzimidazole.

Molecular Properties

Compound Name2-ethenyl-4-nitro-1H-benzimidazole
PubChem CID11127049
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name2-ethenyl-4-nitro-1H-benzimidazole
SMILESC=Cc1nc2c([N+](=O)[O-])cccc2[nH]1
InChIInChI=1S/C9H7N3O2/c1-2-8-10-6-4-3-5-7(12(13)14)9(6)11-8/h2-5H,1H2,(H,10,11)
InChIKeyAUABWYQFMPXBDG-UHFFFAOYSA-N
XLogP2.11
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-nitro-2-[(4-nitro-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole
CID 129046933
4-nitro-2-phenyl-1H-benzimidazole
CID 3495719
N-methyl-4-nitro-1H-benzimidazol-2-amine
CID 45077987
4-nitro-N-propan-2-yl-1H-benzimidazol-2-amine
CID 10727632
2-ethylsulfonyl-4-nitro-1H-benzimidazole
CID 76845867
ethyl 4-nitro-1H-benzimidazole-2-carboxylate
CID 141488459
2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole
CID 59843298
1-ethyl-3-(4-nitro-1H-benzimidazol-2-yl)urea
CID 102320536
methyl 4-(4-nitro-1H-benzimidazol-2-yl)benzoate
CID 4915276
2-(2-chlorophenoxy)-N-[2-(4-nitro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 59018346
2-[(4-nitro-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboximidamide
CID 54377706
2-ethenyl-3-nitrophenol
CID 10583166

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-nitro-1H-benzimidazole?
The IUPAC name of 2-ethenyl-4-nitro-1H-benzimidazole (CID 11127049) is 2-ethenyl-4-nitro-1H-benzimidazole.
What is the SMILES notation for 2-ethenyl-4-nitro-1H-benzimidazole?
The canonical SMILES for 2-ethenyl-4-nitro-1H-benzimidazole is C=Cc1nc2c([N+](=O)[O-])cccc2[nH]1.
What is the InChIKey of 2-ethenyl-4-nitro-1H-benzimidazole?
The InChIKey is AUABWYQFMPXBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-2-8-10-6-4-3-5-7(12(13)14)9(6)11-8/h2-5H,1H2,(H,10,11).
What are the key properties of 2-ethenyl-4-nitro-1H-benzimidazole?
2-ethenyl-4-nitro-1H-benzimidazole has a molecular weight of 189.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-nitro-1H-benzimidazole is sourced from PubChem (CID 11127049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).