2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole

C10H9BrN2S — CID 175985860

IUPAC2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole
SMILESBrc1ccc(CSC2=NCC=N2)cc1
InChIInChI=1S/C10H9BrN2S/c11-9-3-1-8(2-4-9)7-14-10-12-5-6-13-10/h1-5H,6-7H2
InChIKeyPIQVRUQFDXUWDW-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.12
Rot. Bonds2

About 2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole

2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole (PubChem CID 175985860) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole
PubChem CID175985860
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole
SMILESBrc1ccc(CSC2=NCC=N2)cc1
InChIInChI=1S/C10H9BrN2S/c11-9-3-1-8(2-4-9)7-14-10-12-5-6-13-10/h1-5H,6-7H2
InChIKeyPIQVRUQFDXUWDW-UHFFFAOYSA-N
XLogP3.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole, 4,5-dihydro-2-(4-bromophenyl)-
CID 3024539
(4-bromophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
CID 4585844
2-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 1711664
6-(4-bromophenyl)-N,N-dimethyl-6H-1,3,4-thiadiazin-2-amine
CID 135052694
2-[(E)-2-(4-bromophenyl)ethenyl]-4,5-dihydro-1,3-thiazole
CID 11265641
4-[(4-Bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 54492878
5-(4-Bromophenyl)-2-methyl-4,5-dihydro-1,3-thiazole
CID 70300312
1-[(4-Bromophenyl)methylsulfanyl]-4,5-dihydroimidazole
CID 87885490
2-[(4-Bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine
CID 154476336
4-(4-Bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 172361471
6-[(4-bromophenyl)methylsulfanyl]-5H-purine
CID 413716
(4-bromophenyl)methyl N'-ethylcarbamimidothioate
CID 8774912

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole?
The IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole (CID 175985860) is 2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole is Brc1ccc(CSC2=NCC=N2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole?
The InChIKey is PIQVRUQFDXUWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c11-9-3-1-8(2-4-9)7-14-10-12-5-6-13-10/h1-5H,6-7H2.
What are the key properties of 2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole?
2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole has a molecular weight of 269.17 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfanyl]-4H-imidazole is sourced from PubChem (CID 175985860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).