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

C14H15BrN4O2S — CID 17493031

IUPAC2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C14H15BrN4O2S/c1-8(12(20)19-13(21)16-2)22-14-17-7-11(18-14)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H,17,18)(H2,16,19,20,21)
InChIKeyOUZNCXBWYFFFNU-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.78
Rot. Bonds4

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

2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide (PubChem CID 17493031) has the molecular formula C14H15BrN4O2S and a molecular weight of 383.27 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
PubChem CID17493031
Molecular FormulaC14H15BrN4O2S
Molecular Weight383.27 g/mol
Exact Mass382.01
IUPAC Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C14H15BrN4O2S/c1-8(12(20)19-13(21)16-2)22-14-17-7-11(18-14)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H,17,18)(H2,16,19,20,21)
InChIKeyOUZNCXBWYFFFNU-UHFFFAOYSA-N
XLogP2.78
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-tert-butylpropanamide
CID 24500657
N-benzyl-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 18194225
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide
CID 16560633
(2S)-2-[5-(4-bromophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 40656888
(2R)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 2560083
N-(5-chloro-2-pyridinyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]propanamide
CID 46825569
2-(2-amino-5-bromophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79533451
(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-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40942854
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42944892
(2R)-2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpropanamide
CID 40795545
(2R)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 25339836

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide (CID 17493031) is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide is CNC(=O)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-(methylcarbamoyl)propanamide?
The InChIKey is OUZNCXBWYFFFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2S/c1-8(12(20)19-13(21)16-2)22-14-17-7-11(18-14)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H,17,18)(H2,16,19,20,21).
What are the key properties of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide?
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide has a molecular weight of 383.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 17493031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).