N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide

C19H19N3OS — CID 92680048

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C19H19N3OS/c23-19(10-13-24-17-7-2-1-3-8-17)21-14-16-6-4-5-9-18(16)22-12-11-20-15-22/h1-9,11-12,15H,10,13-14H2,(H,21,23)
InChIKeySVZPHLPBKPMDOQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.67
Rot. Bonds7

About N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide

N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide (PubChem CID 92680048) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
PubChem CID92680048
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C19H19N3OS/c23-19(10-13-24-17-7-2-1-3-8-17)21-14-16-6-4-5-9-18(16)22-12-11-20-15-22/h1-9,11-12,15H,10,13-14H2,(H,21,23)
InChIKeySVZPHLPBKPMDOQ-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide 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

N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 60580594
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
2-[(2-chlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 30388148
3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 75442044
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 43908168
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 52740396
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28633540

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide (CID 92680048) is N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCc1ccccc1-n1ccnc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide?
The InChIKey is SVZPHLPBKPMDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-19(10-13-24-17-7-2-1-3-8-17)21-14-16-6-4-5-9-18(16)22-12-11-20-15-22/h1-9,11-12,15H,10,13-14H2,(H,21,23).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide?
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide has a molecular weight of 337.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 92680048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).