2-chloro-6-nitro-1H-benzimidazole

C7H4ClN3O2 — CID 516032

IUPAC2-chloro-6-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C7H4ClN3O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H,9,10)
InChIKeyGWSMACGSFHRVFA-UHFFFAOYSA-N
MW197.58 g/mol
LogP2.12
Rot. Bonds1

About 2-chloro-6-nitro-1H-benzimidazole

2-chloro-6-nitro-1H-benzimidazole (PubChem CID 516032) has the molecular formula C7H4ClN3O2 and a molecular weight of 197.58 g/mol. Its IUPAC name is 2-chloro-6-nitro-1H-benzimidazole.

Molecular Properties

Compound Name2-chloro-6-nitro-1H-benzimidazole
PubChem CID516032
Molecular FormulaC7H4ClN3O2
Molecular Weight197.58 g/mol
Exact Mass197.00
IUPAC Name2-chloro-6-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C7H4ClN3O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H,9,10)
InChIKeyGWSMACGSFHRVFA-UHFFFAOYSA-N
XLogP2.12
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-nitro-1H-benzimidazole?
The IUPAC name of 2-chloro-6-nitro-1H-benzimidazole (CID 516032) is 2-chloro-6-nitro-1H-benzimidazole.
What is the SMILES notation for 2-chloro-6-nitro-1H-benzimidazole?
The canonical SMILES for 2-chloro-6-nitro-1H-benzimidazole is O=[N+]([O-])c1ccc2nc(Cl)[nH]c2c1.
What is the InChIKey of 2-chloro-6-nitro-1H-benzimidazole?
The InChIKey is GWSMACGSFHRVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H,9,10).
What are the key properties of 2-chloro-6-nitro-1H-benzimidazole?
2-chloro-6-nitro-1H-benzimidazole has a molecular weight of 197.58 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-nitro-1H-benzimidazole is sourced from PubChem (CID 516032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).