N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide

C23H25N3O2 — CID 166212139

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide
SMILESCc1ccc(C(=O)CCCCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-18-6-10-20(11-7-18)22(27)4-2-3-5-23(28)25-16-19-8-12-21(13-9-19)26-15-14-24-17-26/h6-15,17H,2-5,16H2,1H3,(H,25,28)
InChIKeyFAAGPIMNJQVLPT-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.24
Rot. Bonds9

About N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide

N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide (PubChem CID 166212139) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide
PubChem CID166212139
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide
SMILESCc1ccc(C(=O)CCCCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-18-6-10-20(11-7-18)22(27)4-2-3-5-23(28)25-16-19-8-12-21(13-9-19)26-15-14-24-17-26/h6-15,17H,2-5,16H2,1H3,(H,25,28)
InChIKeyFAAGPIMNJQVLPT-UHFFFAOYSA-N
XLogP4.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928
N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 92678471
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 86850589
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 166218360
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 48994302
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 92678156
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide (CID 166212139) is N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide is Cc1ccc(C(=O)CCCCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide?
The InChIKey is FAAGPIMNJQVLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-18-6-10-20(11-7-18)22(27)4-2-3-5-23(28)25-16-19-8-12-21(13-9-19)26-15-14-24-17-26/h6-15,17H,2-5,16H2,1H3,(H,25,28).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide?
N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide has a molecular weight of 375.47 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-6-(4-methylphenyl)-6-oxohexanamide is sourced from PubChem (CID 166212139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).