N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

C23H20N6O — CID 7933033

IUPACN-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C23H20N6O/c1-17-7-9-18(10-8-17)15-24-26-23(30)21-13-11-19(12-14-21)16-29-27-22(25-28-29)20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,26,30)/b24-15-
InChIKeyOTNHJEDBNGVGPV-IWIPYMOSSA-N
MW396.45 g/mol
LogP3.46
Rot. Bonds6

About N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide (PubChem CID 7933033) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
PubChem CID7933033
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC NameN-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C23H20N6O/c1-17-7-9-18(10-8-17)15-24-26-23(30)21-13-11-19(12-14-21)16-29-27-22(25-28-29)20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,26,30)/b24-15-
InChIKeyOTNHJEDBNGVGPV-IWIPYMOSSA-N
XLogP3.46
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-(4-ethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 42995318
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 16553645
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7728239
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 135733998
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 16553640
N-[(Z)-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 30238170
N-(benzylideneamino)-2-(5-phenyltetrazol-2-yl)acetamide
CID 568805
N-[(4-methylcyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 7933017
N-[(E)-1-naphthalen-2-ylethylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 16553650
N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide
CID 86084165
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide (CID 7933033) is N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide is Cc1ccc(/C=N\NC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
The InChIKey is OTNHJEDBNGVGPV-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H20N6O/c1-17-7-9-18(10-8-17)15-24-26-23(30)21-13-11-19(12-14-21)16-29-27-22(25-28-29)20-5-3-2-4-6-20/h2-15H,16H2,1H3,(H,26,30)/b24-15-.
What are the key properties of N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide?
N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide has a molecular weight of 396.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 7933033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).