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

C19H18BrN3OS — CID 18194225

IUPACN-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H18BrN3OS/c1-13(18(24)21-11-14-5-3-2-4-6-14)25-19-22-12-17(23-19)15-7-9-16(20)10-8-15/h2-10,12-13H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyOJNICZVKSGCREX-UHFFFAOYSA-N
MW416.34 g/mol
LogP4.64
Rot. Bonds6

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

N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide (PubChem CID 18194225) has the molecular formula C19H18BrN3OS and a molecular weight of 416.34 g/mol. Its IUPAC name is N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
PubChem CID18194225
Molecular FormulaC19H18BrN3OS
Molecular Weight416.34 g/mol
Exact Mass415.04
IUPAC NameN-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H18BrN3OS/c1-13(18(24)21-11-14-5-3-2-4-6-14)25-19-22-12-17(23-19)15-7-9-16(20)10-8-15/h2-10,12-13H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyOJNICZVKSGCREX-UHFFFAOYSA-N
XLogP4.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.34
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide
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2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-tert-butylpropanamide
CID 24500657
(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 25339836
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 17493031
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42944892
(2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 1242345
2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
CID 126808990
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]heptanoic acid
CID 10733322
N-(2-phenylethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896830
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 41030207
N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304873
(2R)-N-benzyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide (CID 18194225) is N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide is CC(Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
The InChIKey is OJNICZVKSGCREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3OS/c1-13(18(24)21-11-14-5-3-2-4-6-14)25-19-22-12-17(23-19)15-7-9-16(20)10-8-15/h2-10,12-13H,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide?
N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide has a molecular weight of 416.34 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 18194225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).