N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide

C18H19N3OS — CID 2340303

IUPACN-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCN1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3OS/c22-16(13-23-18-19-11-12-20-18)21-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,19,20)(H,21,22)
InChIKeyWSWLYUWPLKLXKN-UHFFFAOYSA-N
MW325.44 g/mol
LogP2.58
Rot. Bonds5

About N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide

N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide (PubChem CID 2340303) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
PubChem CID2340303
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCN1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19N3OS/c22-16(13-23-18-19-11-12-20-18)21-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,19,20)(H,21,22)
InChIKeyWSWLYUWPLKLXKN-UHFFFAOYSA-N
XLogP2.58
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide (CID 2340303) is N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide is O=C(CSC1=NCCN1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
The InChIKey is WSWLYUWPLKLXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-16(13-23-18-19-11-12-20-18)21-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,19,20)(H,21,22).
What are the key properties of N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide?
N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide has a molecular weight of 325.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2340303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).