2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

C17H22ClN3O2S — CID 135110171

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
SMILESCc1ncc(CN(CCO)C(=O)C(C)SCc2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C17H22ClN3O2S/c1-12(24-11-14-3-5-15(18)6-4-14)17(23)21(7-8-22)10-16-9-19-13(2)20-16/h3-6,9,12,22H,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyUZYVKFLYIQNQAB-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.01
Rot. Bonds8

About 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide (PubChem CID 135110171) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
PubChem CID135110171
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
SMILESCc1ncc(CN(CCO)C(=O)C(C)SCc2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C17H22ClN3O2S/c1-12(24-11-14-3-5-15(18)6-4-14)17(23)21(7-8-22)10-16-9-19-13(2)20-16/h3-6,9,12,22H,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyUZYVKFLYIQNQAB-UHFFFAOYSA-N
XLogP3.01
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide
CID 135112894
2-[(3-chloro-4-fluorophenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 137335185
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide
CID 135115054
2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78887931
3-ethoxy-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
CID 135094045
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide
CID 135108638
N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide
CID 135120142
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]acetamide
CID 135106203
ethyl 2-[(4-chlorophenyl)methylsulfanyl]propanoate
CID 20542836
formic acid;2-[(2-methyl-1H-imidazol-5-yl)methyl-(pyridin-4-ylmethyl)amino]ethanol
CID 154916330
2-[2-chloro-4-[[2-hydroxyethyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]methyl]phenoxy]acetamide
CID 137345213
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one
CID 115569366

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide (CID 135110171) is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide is Cc1ncc(CN(CCO)C(=O)C(C)SCc2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The InChIKey is UZYVKFLYIQNQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-12(24-11-14-3-5-15(18)6-4-14)17(23)21(7-8-22)10-16-9-19-13(2)20-16/h3-6,9,12,22H,7-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide has a molecular weight of 367.90 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 135110171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).