N-(1H-benzimidazol-2-yl)-4-nitrobenzamide

C14H10N4O3 — CID 3761604

IUPACN-(1H-benzimidazol-2-yl)-4-nitrobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N4O3/c19-13(9-5-7-10(8-6-9)18(20)21)17-14-15-11-3-1-2-4-12(11)16-14/h1-8H,(H2,15,16,17,19)
InChIKeyATJLQYUJQCDLFC-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.72
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-4-nitrobenzamide

N-(1H-benzimidazol-2-yl)-4-nitrobenzamide (PubChem CID 3761604) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-nitrobenzamide
PubChem CID3761604
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC NameN-(1H-benzimidazol-2-yl)-4-nitrobenzamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N4O3/c19-13(9-5-7-10(8-6-9)18(20)21)17-14-15-11-3-1-2-4-12(11)16-14/h1-8H,(H2,15,16,17,19)
InChIKeyATJLQYUJQCDLFC-UHFFFAOYSA-N
XLogP2.72
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(1H-benzimidazol-2-yl)-4-nitrobenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-nitrobenzamide (CID 3761604) is N-(1H-benzimidazol-2-yl)-4-nitrobenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-nitrobenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-nitrobenzamide is O=C(Nc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-nitrobenzamide?
The InChIKey is ATJLQYUJQCDLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-13(9-5-7-10(8-6-9)18(20)21)17-14-15-11-3-1-2-4-12(11)16-14/h1-8H,(H2,15,16,17,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-nitrobenzamide?
N-(1H-benzimidazol-2-yl)-4-nitrobenzamide has a molecular weight of 282.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-nitrobenzamide is sourced from PubChem (CID 3761604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).