N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide

C21H23N3OS — CID 24558232

IUPACN-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1cc(C)cc(-n2ccnc2SC(C)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H23N3OS/c1-15-11-16(2)13-19(12-15)24-10-9-22-21(24)26-17(3)20(25)23-14-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,23,25)
InChIKeyMFLWWJNVOCVDAL-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.29
Rot. Bonds6

About N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide

N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 24558232) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID24558232
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1cc(C)cc(-n2ccnc2SC(C)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H23N3OS/c1-15-11-16(2)13-19(12-15)24-10-9-22-21(24)26-17(3)20(25)23-14-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,23,25)
InChIKeyMFLWWJNVOCVDAL-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide 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-(benzylcarbamoyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylpropanamide
CID 55423602
N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46677166
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 34852732
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4166755
(2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 40675254
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 33235361
(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N,N-dimethylpropanamide
CID 40654380
(2S)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675179
(2R)-N-(2,4-difluorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675180
methyl 4-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate
CID 55492079
(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665651
N-tert-butyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51236327

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 24558232) is N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide is Cc1cc(C)cc(-n2ccnc2SC(C)C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is MFLWWJNVOCVDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15-11-16(2)13-19(12-15)24-10-9-22-21(24)26-17(3)20(25)23-14-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,23,25).
What are the key properties of N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 365.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 24558232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).