N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide

C15H17Cl2N3OS — CID 67559740

IUPACN-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C
InChIInChI=1S/C15H17Cl2N3OS/c1-8(2)13-14(20(4)15(19-13)18-9(3)21)22-12-6-10(16)5-11(17)7-12/h5-8H,1-4H3,(H,18,19,21)
InChIKeyCRZASHQSCKMPOY-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.96
Rot. Bonds4

About N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide

N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide (PubChem CID 67559740) has the molecular formula C15H17Cl2N3OS and a molecular weight of 358.29 g/mol. Its IUPAC name is N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide
PubChem CID67559740
Molecular FormulaC15H17Cl2N3OS
Molecular Weight358.29 g/mol
Exact Mass357.05
IUPAC NameN-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C
InChIInChI=1S/C15H17Cl2N3OS/c1-8(2)13-14(20(4)15(19-13)18-9(3)21)22-12-6-10(16)5-11(17)7-12/h5-8H,1-4H3,(H,18,19,21)
InChIKeyCRZASHQSCKMPOY-UHFFFAOYSA-N
XLogP4.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide?
The IUPAC name of N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide (CID 67559740) is N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide?
The canonical SMILES for N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide is CC(=O)Nc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1C.
What is the InChIKey of N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide?
The InChIKey is CRZASHQSCKMPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3OS/c1-8(2)13-14(20(4)15(19-13)18-9(3)21)22-12-6-10(16)5-11(17)7-12/h5-8H,1-4H3,(H,18,19,21).
What are the key properties of N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide?
N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide has a molecular weight of 358.29 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetamide is sourced from PubChem (CID 67559740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).