N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide

C19H19N3OS — CID 24685445

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H19N3OS/c1-14(21-19(23)17-5-3-4-6-18(17)24-2)15-7-9-16(10-8-15)22-12-11-20-13-22/h3-14H,1-2H3,(H,21,23)
InChIKeyZZJDLMBKELLMPU-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.09
Rot. Bonds5

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 24685445) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide
PubChem CID24685445
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H19N3OS/c1-14(21-19(23)17-5-3-4-6-18(17)24-2)15-7-9-16(10-8-15)22-12-11-20-13-22/h3-14H,1-2H3,(H,21,23)
InChIKeyZZJDLMBKELLMPU-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide (CID 24685445) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is ZZJDLMBKELLMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14(21-19(23)17-5-3-4-6-18(17)24-2)15-7-9-16(10-8-15)22-12-11-20-13-22/h3-14H,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 337.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 24685445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).