N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide

C18H15N5O3 — CID 6221857

IUPACN-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide
SMILESO=C(N/N=C(/Cc1ncc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H15N5O3/c24-18(14-6-8-15(9-7-14)23(25)26)22-21-16(12-17-19-10-11-20-17)13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)(H,22,24)/b21-16-
InChIKeyPZUDRXMYVPPWNG-PGMHBOJBSA-N
MW349.35 g/mol
LogP2.69
Rot. Bonds6

About N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide

N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide (PubChem CID 6221857) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide
PubChem CID6221857
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC NameN-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide
SMILESO=C(N/N=C(/Cc1ncc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H15N5O3/c24-18(14-6-8-15(9-7-14)23(25)26)22-21-16(12-17-19-10-11-20-17)13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)(H,22,24)/b21-16-
InChIKeyPZUDRXMYVPPWNG-PGMHBOJBSA-N
XLogP2.69
TPSA113.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide
CID 6389026
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide
CID 6236263
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 6235724
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409143
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-3-nitrobenzamide
CID 5083022
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
CID 91385749
2-[(4-nitrophenyl)methyl]-1H-imidazole;hydrochloride
CID 131874324
N-(diaminomethylideneamino)-4-nitrobenzamide
CID 10632849
4-nitro-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 5331274
N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide
CID 9058741

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide (CID 6221857) is N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide is O=C(N/N=C(/Cc1ncc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide?
The InChIKey is PZUDRXMYVPPWNG-PGMHBOJBSA-N. The full InChI is InChI=1S/C18H15N5O3/c24-18(14-6-8-15(9-7-14)23(25)26)22-21-16(12-17-19-10-11-20-17)13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)(H,22,24)/b21-16-.
What are the key properties of N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide?
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide has a molecular weight of 349.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-nitrobenzamide is sourced from PubChem (CID 6221857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).