N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide

C22H19N5O — CID 9044974

IUPACN-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc2ccccc21)N/N=C\c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H19N5O/c28-22(15-27-16-23-20-8-4-5-9-21(20)27)26-24-14-17-10-12-19(13-11-17)25-18-6-2-1-3-7-18/h1-14,16,25H,15H2,(H,26,28)/b24-14-
InChIKeyDXVCOSQRYVQTLI-OYKKKHCWSA-N
MW369.43 g/mol
LogP3.93
Rot. Bonds6

About N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide

N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide (PubChem CID 9044974) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide
PubChem CID9044974
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc2ccccc21)N/N=C\c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H19N5O/c28-22(15-27-16-23-20-8-4-5-9-21(20)27)26-24-14-17-10-12-19(13-11-17)25-18-6-2-1-3-7-18/h1-14,16,25H,15H2,(H,26,28)/b24-14-
InChIKeyDXVCOSQRYVQTLI-OYKKKHCWSA-N
XLogP3.93
TPSA71.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide 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

2-(benzimidazol-1-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 9121187
2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 6900476
2-(benzimidazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 728512
2-(benzimidazol-1-yl)-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 6264883
2-(benzimidazol-1-yl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 17086257
2-(benzimidazol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136744917
2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5395175
2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1184903
2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135576859
2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide
CID 697064
2-(benzimidazol-1-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 4854819
2-(benzimidazol-1-yl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 6861925

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide (CID 9044974) is N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide is O=C(Cn1cnc2ccccc21)N/N=C\c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide?
The InChIKey is DXVCOSQRYVQTLI-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H19N5O/c28-22(15-27-16-23-20-8-4-5-9-21(20)27)26-24-14-17-10-12-19(13-11-17)25-18-6-2-1-3-7-18/h1-14,16,25H,15H2,(H,26,28)/b24-14-.
What are the key properties of N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide?
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide has a molecular weight of 369.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide is sourced from PubChem (CID 9044974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).