(5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone

C16H15BrN2O2S — CID 3361119

IUPAC(5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C16H15BrN2O2S/c1-11-3-2-4-12(9-11)10-22-16-18-7-8-19(16)15(20)13-5-6-14(17)21-13/h2-6,9H,7-8,10H2,1H3
InChIKeyFWGXAIFIZCHPCH-UHFFFAOYSA-N
MW379.28 g/mol
LogP4.10
Rot. Bonds3

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

(5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3361119) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3361119
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name(5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C16H15BrN2O2S/c1-11-3-2-4-12(9-11)10-22-16-18-7-8-19(16)15(20)13-5-6-14(17)21-13/h2-6,9H,7-8,10H2,1H3
InChIKeyFWGXAIFIZCHPCH-UHFFFAOYSA-N
XLogP4.10
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 3361119) is (5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1.
What is the InChIKey of (5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is FWGXAIFIZCHPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c1-11-3-2-4-12(9-11)10-22-16-18-7-8-19(16)15(20)13-5-6-14(17)21-13/h2-6,9H,7-8,10H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
(5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 379.28 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3361119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).