1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one

C14H14BrN5O2S — CID 8734449

IUPAC1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
SMILESC[C@@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)N1CCNC1=O
InChIInChI=1S/C14H14BrN5O2S/c1-8(12(21)20-7-6-16-14(20)22)23-13-17-11(18-19-13)9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,22)(H,17,18,19)/t8-/m1/s1
InChIKeyJAKAQXCUTCWOLP-MRVPVSSYSA-N
MW396.27 g/mol
LogP2.27
Rot. Bonds4

About 1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one

1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one (PubChem CID 8734449) has the molecular formula C14H14BrN5O2S and a molecular weight of 396.27 g/mol. Its IUPAC name is 1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
PubChem CID8734449
Molecular FormulaC14H14BrN5O2S
Molecular Weight396.27 g/mol
Exact Mass395.01
IUPAC Name1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
SMILESC[C@@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)N1CCNC1=O
InChIInChI=1S/C14H14BrN5O2S/c1-8(12(21)20-7-6-16-14(20)22)23-13-17-11(18-19-13)9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,22)(H,17,18,19)/t8-/m1/s1
InChIKeyJAKAQXCUTCWOLP-MRVPVSSYSA-N
XLogP2.27
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 42887090
(2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 98325369
(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 8734482
(2S)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 8734483
(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 41187933
(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 41187925
2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45352647
1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one
CID 17399038
1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 42895998
1-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091672
4-[(2R)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8738821
5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
CID 136826351

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one (CID 8734449) is 1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one is C[C@@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The InChIKey is JAKAQXCUTCWOLP-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H14BrN5O2S/c1-8(12(21)20-7-6-16-14(20)22)23-13-17-11(18-19-13)9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,22)(H,17,18,19)/t8-/m1/s1.
What are the key properties of 1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one?
1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one has a molecular weight of 396.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8734449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).