(5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone

C14H12BrN3O2S — CID 4248782

IUPAC(5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C14H12BrN3O2S/c15-12-4-3-11(20-12)13(19)18-7-6-17-14(18)21-9-10-2-1-5-16-8-10/h1-5,8H,6-7,9H2
InChIKeyJJKPITCXQMAOAC-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.18
Rot. Bonds3

About (5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone

(5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 4248782) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID4248782
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC Name(5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN=C1SCc1cccnc1
InChIInChI=1S/C14H12BrN3O2S/c15-12-4-3-11(20-12)13(19)18-7-6-17-14(18)21-9-10-2-1-5-16-8-10/h1-5,8H,6-7,9H2
InChIKeyJJKPITCXQMAOAC-UHFFFAOYSA-N
XLogP3.18
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone (CID 4248782) is (5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCN=C1SCc1cccnc1.
What is the InChIKey of (5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is JJKPITCXQMAOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c15-12-4-3-11(20-12)13(19)18-7-6-17-14(18)21-9-10-2-1-5-16-8-10/h1-5,8H,6-7,9H2.
What are the key properties of (5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone?
(5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 366.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 4248782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).