N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide

C20H14N4O3 — CID 46642196

IUPACN-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N4O3/c25-20(14-4-3-5-17(12-14)24(26)27)22-15-8-10-16(11-9-15)23-13-21-18-6-1-2-7-19(18)23/h1-13H,(H,22,25)
InChIKeyVGNKQQCHYRDXLS-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.19
Rot. Bonds4

About N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide

N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide (PubChem CID 46642196) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide
PubChem CID46642196
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N4O3/c25-20(14-4-3-5-17(12-14)24(26)27)22-15-8-10-16(11-9-15)23-13-21-18-6-1-2-7-19(18)23/h1-13H,(H,22,25)
InChIKeyVGNKQQCHYRDXLS-UHFFFAOYSA-N
XLogP4.19
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 4264329
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406
N-imidazo[1,2-a]pyridin-6-yl-3-nitrobenzamide
CID 110188171
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 1216141
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 87037290
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
3,5-dinitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3117220
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide (CID 46642196) is N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide is O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide?
The InChIKey is VGNKQQCHYRDXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c25-20(14-4-3-5-17(12-14)24(26)27)22-15-8-10-16(11-9-15)23-13-21-18-6-1-2-7-19(18)23/h1-13H,(H,22,25).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide?
N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide has a molecular weight of 358.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 46642196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).