2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole

C15H10ClN3O2 — CID 6160456

IUPAC2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=C/c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H10ClN3O2/c16-12-7-6-11(19(20)21)9-10(12)5-8-15-17-13-3-1-2-4-14(13)18-15/h1-9H,(H,17,18)/b8-5+
InChIKeyLGDCPIQGHFBSKU-VMPITWQZSA-N
MW299.72 g/mol
LogP4.29
Rot. Bonds3

About 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole

2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole (PubChem CID 6160456) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole
PubChem CID6160456
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc(Cl)c(/C=C/c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H10ClN3O2/c16-12-7-6-11(19(20)21)9-10(12)5-8-15-17-13-3-1-2-4-14(13)18-15/h1-9H,(H,17,18)/b8-5+
InChIKeyLGDCPIQGHFBSKU-VMPITWQZSA-N
XLogP4.29
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.29
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-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole?
The IUPAC name of 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole (CID 6160456) is 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole?
The canonical SMILES for 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole is O=[N+]([O-])c1ccc(Cl)c(/C=C/c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole?
The InChIKey is LGDCPIQGHFBSKU-VMPITWQZSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-12-7-6-11(19(20)21)9-10(12)5-8-15-17-13-3-1-2-4-14(13)18-15/h1-9H,(H,17,18)/b8-5+.
What are the key properties of 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole?
2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole has a molecular weight of 299.72 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1H-benzimidazole is sourced from PubChem (CID 6160456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).