N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C21H23N3OS — CID 2477849

IUPACN-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H23N3OS/c1-21(2,3)24-17(25)14-26-20-22-18(15-10-6-4-7-11-15)19(23-20)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyDAKDWEDFCMMLIC-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.75
Rot. Bonds5

About N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 2477849) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID2477849
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C21H23N3OS/c1-21(2,3)24-17(25)14-26-20-22-18(15-10-6-4-7-11-15)19(23-20)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyDAKDWEDFCMMLIC-UHFFFAOYSA-N
XLogP4.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 2477849) is N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is CC(C)(C)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is DAKDWEDFCMMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-21(2,3)24-17(25)14-26-20-22-18(15-10-6-4-7-11-15)19(23-20)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 365.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2477849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).