N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide

C18H16N4O — CID 6389026

IUPACN-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide
SMILESO=C(N/N=C(\Cc1ncc[nH]1)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N4O/c23-18(15-9-5-2-6-10-15)22-21-16(13-17-19-11-12-20-17)14-7-3-1-4-8-14/h1-12H,13H2,(H,19,20)(H,22,23)/b21-16+
InChIKeySGUMRGNQFIEPPB-LTGZKZEYSA-N
MW304.35 g/mol
LogP2.79
Rot. Bonds5

About N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide

N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide (PubChem CID 6389026) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide
PubChem CID6389026
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide
SMILESO=C(N/N=C(\Cc1ncc[nH]1)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N4O/c23-18(15-9-5-2-6-10-15)22-21-16(13-17-19-11-12-20-17)14-7-3-1-4-8-14/h1-12H,13H2,(H,19,20)(H,22,23)/b21-16+
InChIKeySGUMRGNQFIEPPB-LTGZKZEYSA-N
XLogP2.79
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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]-4-nitrobenzamide
CID 6221857
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 6235724
N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 6390210
(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]hydrazine
CID 6389027
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
CID 91385749
N-[(Z)-1H-imidazol-2-ylmethylideneamino]benzamide
CID 137321091
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
4-fluoro-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91509207
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-3-nitrobenzamide
CID 5083022

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide?
The IUPAC name of N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide (CID 6389026) is N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide.
What is the SMILES notation for N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide?
The canonical SMILES for N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide is O=C(N/N=C(\Cc1ncc[nH]1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide?
The InChIKey is SGUMRGNQFIEPPB-LTGZKZEYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(15-9-5-2-6-10-15)22-21-16(13-17-19-11-12-20-17)14-7-3-1-4-8-14/h1-12H,13H2,(H,19,20)(H,22,23)/b21-16+.
What are the key properties of N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide?
N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide has a molecular weight of 304.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]benzamide is sourced from PubChem (CID 6389026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).