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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Related Compounds

2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2942184
(4R,5S)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 45273183
2-[(5-Acetamido-4,6-dioxo-1,5-dihydropyrimidin-2-YL)sulfanyl]-N-(1-phenylethyl)acetamide
CID 646513
2-{[5-(acetylamino)-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl}-N-benzylacetamide
CID 652438
N-benzyl-2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 3311767
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]thio}-N-benzylpropanamide
CID 4917997
N-benzyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 135415543
N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135416815
2-({2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl}thio)-6-methyl-4(3H)-pyrimidinone
CID 135465318
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-benzylacetamide
CID 1265641
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
CID 3511427
N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135410606

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).