3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide

C14H17N3O2S — CID 66150478

IUPAC3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide
SMILESCn1c(CO)cnc1SCCC(=O)Nc1ccccc1
InChIInChI=1S/C14H17N3O2S/c1-17-12(10-18)9-15-14(17)20-8-7-13(19)16-11-5-3-2-4-6-11/h2-6,9,18H,7-8,10H2,1H3,(H,16,19)
InChIKeyWYBORJKPEFMNPH-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.03
Rot. Bonds6

About 3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide

3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide (PubChem CID 66150478) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide
PubChem CID66150478
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide
SMILESCn1c(CO)cnc1SCCC(=O)Nc1ccccc1
InChIInChI=1S/C14H17N3O2S/c1-17-12(10-18)9-15-14(17)20-8-7-13(19)16-11-5-3-2-4-6-11/h2-6,9,18H,7-8,10H2,1H3,(H,16,19)
InChIKeyWYBORJKPEFMNPH-UHFFFAOYSA-N
XLogP2.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide 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

3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 24651767
2-[2-(2-anilino-2-oxoethyl)sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 41341971
N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66151889
3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 35723023
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 71984519
[3-methyl-2-[2-(2-nitrophenyl)ethylsulfanyl]imidazol-4-yl]methanol
CID 66150464
(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol
CID 66152109
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide
CID 66152095
N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66151271
[3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol
CID 66149423
N-(4-bromophenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23745961
3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylpropanamide
CID 110675581

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide?
The IUPAC name of 3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide (CID 66150478) is 3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for 3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide is Cn1c(CO)cnc1SCCC(=O)Nc1ccccc1.
What is the InChIKey of 3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide?
The InChIKey is WYBORJKPEFMNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17-12(10-18)9-15-14(17)20-8-7-13(19)16-11-5-3-2-4-6-11/h2-6,9,18H,7-8,10H2,1H3,(H,16,19).
What are the key properties of 3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide?
3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide has a molecular weight of 291.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 66150478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).