N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide

C18H16N4O — CID 86084165

IUPACN-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H16N4O/c23-18(21-20-12-15-4-2-1-3-5-15)17-8-6-16(7-9-17)13-22-11-10-19-14-22/h1-12,14H,13H2,(H,21,23)
InChIKeyWNNIQXKNRQDOFT-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.70
Rot. Bonds5

About N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide

N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 86084165) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID86084165
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NN=Cc1ccccc1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H16N4O/c23-18(21-20-12-15-4-2-1-3-5-15)17-8-6-16(7-9-17)13-22-11-10-19-14-22/h1-12,14H,13H2,(H,21,23)
InChIKeyWNNIQXKNRQDOFT-UHFFFAOYSA-N
XLogP2.70
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(imidazol-1-ylmethyl)-N-(2-phenylethenyl)benzamide
CID 174355891
N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
CID 177459672
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
benzaldehyde;1-benzylimidazole
CID 23446402
1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 123541179
N-(benzylideneamino)-4-(diethylaminomethyl)benzamide
CID 165351037
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide (CID 86084165) is N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide is O=C(NN=Cc1ccccc1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is WNNIQXKNRQDOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(21-20-12-15-4-2-1-3-5-15)17-8-6-16(7-9-17)13-22-11-10-19-14-22/h1-12,14H,13H2,(H,21,23).
What are the key properties of N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide?
N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 304.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 86084165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).