2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide

C22H24BrN3OS — CID 16560633

IUPAC2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide
SMILESCC(CCc1ccccc1)NC(=O)C(C)Sc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C22H24BrN3OS/c1-15(8-9-17-6-4-3-5-7-17)25-21(27)16(2)28-22-24-14-20(26-22)18-10-12-19(23)13-11-18/h3-7,10-16H,8-9H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyAIWMZAAEVDFYNO-UHFFFAOYSA-N
MW458.43 g/mol
LogP5.46
Rot. Bonds8

About 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide

2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide (PubChem CID 16560633) has the molecular formula C22H24BrN3OS and a molecular weight of 458.43 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide
PubChem CID16560633
Molecular FormulaC22H24BrN3OS
Molecular Weight458.43 g/mol
Exact Mass457.08
IUPAC Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide
SMILESCC(CCc1ccccc1)NC(=O)C(C)Sc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C22H24BrN3OS/c1-15(8-9-17-6-4-3-5-7-17)25-21(27)16(2)28-22-24-14-20(26-22)18-10-12-19(23)13-11-18/h3-7,10-16H,8-9H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyAIWMZAAEVDFYNO-UHFFFAOYSA-N
XLogP5.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.43
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 18194225
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-tert-butylpropanamide
CID 24500657
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 17493031
(2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 1242345
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
CID 17427646
N-(2-phenylethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896830
(2R)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7557137
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 41030207
(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 26218057
(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7283972
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40942854
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide (CID 16560633) is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide is CC(CCc1ccccc1)NC(=O)C(C)Sc1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide?
The InChIKey is AIWMZAAEVDFYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3OS/c1-15(8-9-17-6-4-3-5-7-17)25-21(27)16(2)28-22-24-14-20(26-22)18-10-12-19(23)13-11-18/h3-7,10-16H,8-9H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide?
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide has a molecular weight of 458.43 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide is sourced from PubChem (CID 16560633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).