2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

C10H11BrN2S — CID 17417822

IUPAC2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESBrc1ccccc1CSC1=NCCN1
InChIInChI=1S/C10H11BrN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
InChIKeyXJSBRKZAGOXTMW-UHFFFAOYSA-N
MW271.18 g/mol
LogP2.64
Rot. Bonds2

About 2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 17417822) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID17417822
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESBrc1ccccc1CSC1=NCCN1
InChIInChI=1S/C10H11BrN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
InChIKeyXJSBRKZAGOXTMW-UHFFFAOYSA-N
XLogP2.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 17417822) is 2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is Brc1ccccc1CSC1=NCCN1.
What is the InChIKey of 2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is XJSBRKZAGOXTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13).
What are the key properties of 2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole has a molecular weight of 271.18 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 17417822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).