2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide

C51H36N4O — CID 177394831

IUPAC2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide
SMILESO=C(Cc1c[nH]cn1)Nc1ccc2ccccc2c1-c1c(Nc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)ccc2ccccc12
InChIInChI=1S/C51H36N4O/c56-47(30-38-31-52-32-53-38)55-46-29-25-34-13-5-7-17-40(34)51(46)50-39-16-6-4-12-33(39)24-28-45(50)54-37-26-22-36(23-27-37)49-43-20-10-8-18-41(43)48(35-14-2-1-3-15-35)42-19-9-11-21-44(42)49/h1-29,31-32,54H,30H2,(H,52,53)(H,55,56)
InChIKeyKNJMKEYTNPTMJM-UHFFFAOYSA-N
MW720.88 g/mol
LogP12.95
Rot. Bonds8

About 2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide

2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide (PubChem CID 177394831) has the molecular formula C51H36N4O and a molecular weight of 720.88 g/mol. Its IUPAC name is 2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide.

Molecular Properties

Compound Name2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide
PubChem CID177394831
Molecular FormulaC51H36N4O
Molecular Weight720.88 g/mol
Exact Mass720.29
IUPAC Name2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide
SMILESO=C(Cc1c[nH]cn1)Nc1ccc2ccccc2c1-c1c(Nc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)ccc2ccccc12
InChIInChI=1S/C51H36N4O/c56-47(30-38-31-52-32-53-38)55-46-29-25-34-13-5-7-17-40(34)51(46)50-39-16-6-4-12-33(39)24-28-45(50)54-37-26-22-36(23-27-37)49-43-20-10-8-18-41(43)48(35-14-2-1-3-15-35)42-19-9-11-21-44(42)49/h1-29,31-32,54H,30H2,(H,52,53)(H,55,56)
InChIKeyKNJMKEYTNPTMJM-UHFFFAOYSA-N
XLogP12.95
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.88
LogP ≤ 512.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide?
The IUPAC name of 2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide (CID 177394831) is 2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide.
What is the SMILES notation for 2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide?
The canonical SMILES for 2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide is O=C(Cc1c[nH]cn1)Nc1ccc2ccccc2c1-c1c(Nc2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)ccc2ccccc12.
What is the InChIKey of 2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide?
The InChIKey is KNJMKEYTNPTMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4O/c56-47(30-38-31-52-32-53-38)55-46-29-25-34-13-5-7-17-40(34)51(46)50-39-16-6-4-12-33(39)24-28-45(50)54-37-26-22-36(23-27-37)49-43-20-10-8-18-41(43)48(35-14-2-1-3-15-35)42-19-9-11-21-44(42)49/h1-29,31-32,54H,30H2,(H,52,53)(H,55,56).
What are the key properties of 2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide?
2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide has a molecular weight of 720.88 g/mol, XLogP of 12.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-4-yl)-N-[1-[2-[4-(10-phenylanthracen-9-yl)anilino]naphthalen-1-yl]naphthalen-2-yl]acetamide is sourced from PubChem (CID 177394831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).